4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid

C15H14N2O4S — CID 94970372

IUPAC4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(COc1ccccc1)Nc1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C15H14N2O4S/c18-11(8-21-10-4-2-1-3-5-10)16-15-17-12(9-6-7-9)13(22-15)14(19)20/h1-5,9H,6-8H2,(H,19,20)(H,16,17,18)
InChIKeyOQWGWIHERWRXME-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.74
Rot. Bonds6

About 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 94970372) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID94970372
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(COc1ccccc1)Nc1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C15H14N2O4S/c18-11(8-21-10-4-2-1-3-5-10)16-15-17-12(9-6-7-9)13(22-15)14(19)20/h1-5,9H,6-8H2,(H,19,20)(H,16,17,18)
InChIKeyOQWGWIHERWRXME-UHFFFAOYSA-N
XLogP2.74
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid 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

methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365
4-cyclobutyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226657
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 82226493
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4163956
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925663
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 18279241
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid (CID 94970372) is 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid is O=C(COc1ccccc1)Nc1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is OQWGWIHERWRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-11(8-21-10-4-2-1-3-5-10)16-15-17-12(9-6-7-9)13(22-15)14(19)20/h1-5,9H,6-8H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).