AG00BJPM

216955-61-2 | 4-Methyl-2-[1-(tert-butoxycarbonyl)piperid-4-yl]-1,3-thiazole-5-carboxylic acid

AG00BJPM

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CAS Number	216955-61-2
Catalog Number	AG00BJPM(AGN-PC-0QY9GJ)
Chemical Name	4-Methyl-2-[1-(tert-butoxycarbonyl)piperid-4-yl]-1,3-thiazole-5-carboxylic acid
IUPAC Name	4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C15H22N2O4S/c1-9-11(13(18)19)22-12(16-9)10-5-7-17(8-6-10)14(20)21-15(2,3)4/h10H,5-8H2,1-4H3,(H,18,19)
InChI Key	XDKKXEMKXSGKOR-UHFFFAOYSA-N
MDL Number	MFCD06659070
Molecular Formula	C15H22N2O4S
Molecular Weight	326.4112
SMILES	CC1=C(C(=O)O)SC(=N1)C2CCN(CC2)C(=O)OC(C)(C)C
Synonyms	216955-61-2, 4-Methyl-2-[1-(tert-butoxycarbonyl)piperid-4-yl]-1,3-thiazole-5-carboxylic acid, 2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid, 2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-4-methyl-1,3-thiazole-5-carboxylic acid, 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-4-methylthiazole-5-carboxylic acid, 2-[1-(tert-butoxycarbonyl)-4-piperidinyl]-4-methyl-1,3-thiazole-5-carboxylic acid, AC1MDTL9, SCHEMBL3327723, CTK8E3603, DTXSID90383753, ZINC4277332, MFCD06659070, AKOS022268578, AS-8925, RP06977, DB-010441, DB-017693, RT-008051, FT-0706489, Y8276, W-206669, I14-60832, F1907-0724, Z2754447756, 2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-5-carboxy-4-methyl-1,3-thiazole, tert-Butyl 4-(5-carboxy-4-methyl-1,3-thiazol-2-yl)piperidin-1-carboxylate, 4-methyl-2-[1-(tert-butoxycarbonyl)piperid-4-yl]-1,3-thiazole-5-carboxylic acid, AldrichCPR, 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid, C15H22N2O4S, CID2795533, 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidyl]-1,3-thiazole-5-carboxylic Acid, N/A,

Complexity	430
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.13g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	326.411g/mol
Monoisotopic Mass	326.13g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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