5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C13H11ClN2O4S — CID 60870143

IUPAC5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)COc2cccc(Cl)c2)c1C(=O)O
InChIInChI=1S/C13H11ClN2O4S/c1-7-11(13(18)19)12(21-16-7)15-10(17)6-20-9-4-2-3-8(14)5-9/h2-5H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyOYVVXFUKCREAEB-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.82
Rot. Bonds5

About 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60870143) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60870143
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)COc2cccc(Cl)c2)c1C(=O)O
InChIInChI=1S/C13H11ClN2O4S/c1-7-11(13(18)19)12(21-16-7)15-10(17)6-20-9-4-2-3-8(14)5-9/h2-5H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyOYVVXFUKCREAEB-UHFFFAOYSA-N
XLogP2.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869760
2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397496
3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60870314
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)acetamide
CID 104820485
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
5-[[2-(2-fluorophenyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60871549
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60870143) is 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)COc2cccc(Cl)c2)c1C(=O)O.
What is the InChIKey of 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is OYVVXFUKCREAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-7-11(13(18)19)12(21-16-7)15-10(17)6-20-9-4-2-3-8(14)5-9/h2-5H,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 326.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60870143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).