2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid

C12H12N2O3S2 — CID 115284026

IUPAC2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1nc(C)c(C(=O)NC(C(=O)O)c2cccs2)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-10(19-7(2)13-6)11(15)14-9(12(16)17)8-4-3-5-18-8/h3-5,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyVUXMWOXVXCWRAS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284026) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284026
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1nc(C)c(C(=O)NC(C(=O)O)c2cccs2)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-10(19-7(2)13-6)11(15)14-9(12(16)17)8-4-3-5-18-8/h3-5,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyVUXMWOXVXCWRAS-UHFFFAOYSA-N
XLogP2.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284684
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 93482434
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 62794621

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115284026) is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid is Cc1nc(C)c(C(=O)NC(C(=O)O)c2cccs2)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is VUXMWOXVXCWRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6-10(19-7(2)13-6)11(15)14-9(12(16)17)8-4-3-5-18-8/h3-5,9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 296.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).