AG000CVY

1166227-08-2 | 1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-

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CAS Number	1166227-08-2
Catalog Number	AG000CVY(AGN-PC-0WACE2)
Chemical Name	1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-
IUPAC Name	(2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
InChI	InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
InChI Key	HBPXWEPKNBHKAX-NSHDSACASA-N
MDL Number	MFCD22378485
Molecular Formula	C17H23N5O2S2
Molecular Weight	393.5268
SMILES	O=C(N1[C@H](C(N)=O)CCC1)NC2=NC(C)=C(C3=CSC(C(C)(C)C)=N3)S2
Synonyms	1166227-08-2, A66, CHEMBL3218581, A-66, (2S)-N1-[2-(tert-Butyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide, J-501023, C17H23N5O2S2, MLS006010983, SCHEMBL14833311, CHEBI:91449, AOB2329, DTXSID80655299, BCPP000449, (2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide, BCP03474, EX-A1124, KS-00001D5K, BDBM50042922, s2636, ZINC43206649, AKOS025293511, BCP9000211, CS-0477, RL00633, SB19247, A66, >=98% (HPLC), BC261901, HY-13261, SMR004702785, BCP0726000206, A 66; A-66, SW218196-2, X7447, W-5907, 1166227-08-2;A 66, A-66, (2S)-N1-(5-(2-tert-butylthiazol-4-yl)-4-methylthiazol-2-yl)pyrrolidine-1,2-dicarboxamide, (S)-N1-(2-(tert-butyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide, (S)-N1-(2-tert-butyl-4'-methyl-4,5'-bithiazol-2'-yl)pyrrolidine-1,2-dicarboxamide, (2S)-N~1~-(2-tert-Butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide, (2S)-N1-[2-(1,1-Dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide, 1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-, cc-500, A 66, HBPXWEPKNBHKAX-NSHDSACASA-N, A8354, A11202, A66, 98%, a potent and specific p110alpha inhibitor - 100MG 100mg,

Complexity	556
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	393.129g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	393.524g/mol
Monoisotopic Mass	393.129g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	158A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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