| CAS Number | 1031602-63-7 |
| Catalog Number | AG0096E2 |
| Chemical Name | UNC3230 |
| IUPAC Name | 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide |
| InChI | InChI=1S/C17H20N4O2S/c18-14(22)13-16(21-15(23)11-7-3-1-4-8-11)24-17(20-13)19-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,18,22)(H,19,20)(H,21,23) |
| InChI Key | RZCNASHHHSKTGP-UHFFFAOYSA-N |
| MDL Number | MFCD15031190 |
| Molecular Formula | C17H20N4O2S |
| Molecular Weight | 344.4313 |
| SMILES | O=C(C1=C(SC(NC2=CC=CC=C2)=N1)NC(C3CCCCC3)=O)N |
| Synonyms | UNC3230,
1031602-63-7,
UNC 3230,
C17H20N4O2S,
AOB2832,
SYN5078,
ZINC21943479,
AKOS002060279,
CCG-192274,
NCGC00387258-04,
AS-16444,
5-[(Cyclohexylcarbonyl)amino]-2-(phenylamino)-thiazolecarboxamide,
STAUPRIMIDE,
RZCNASHHHSKTGP-UHFFFAOYSA-N,
B4941,
154589-96-5,
|
| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.433g/mol |
| Monoisotopic Mass | 344.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number