2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C12H11N3O2S — CID 16915429

IUPAC2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C12H11N3O2S/c13-11(17)9-7-18-12(14-9)15-10(16)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,17)(H,14,15,16)
InChIKeyGHISCDWQEBDPKK-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.42
Rot. Bonds4

About 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 16915429) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID16915429
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C12H11N3O2S/c13-11(17)9-7-18-12(14-9)15-10(16)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,17)(H,14,15,16)
InChIKeyGHISCDWQEBDPKK-UHFFFAOYSA-N
XLogP1.42
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
2-[6-(phenylmethoxycarbamoylamino)hexanoylamino]-1,3-thiazole-4-carboxamide
CID 173156105
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 84556484
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550840

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 16915429) is 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is GHISCDWQEBDPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-11(17)9-7-18-12(14-9)15-10(16)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).