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

C13H12N2O3S — CID 28803701

IUPAC4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)Cc2ccccc2)sc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8-11(12(17)18)19-13(14-8)15-10(16)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyLUGCCXWBODZXFO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

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

4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 28803701) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID28803701
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)Cc2ccccc2)sc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8-11(12(17)18)19-13(14-8)15-10(16)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyLUGCCXWBODZXFO-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226440
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849339
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
4-methyl-2-(3-phenylprop-2-enoylamino)-1,3-thiazole-5-carboxylic acid
CID 78414592
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid (CID 28803701) is 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LUGCCXWBODZXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-11(12(17)18)19-13(14-8)15-10(16)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 28803701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).