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

C11H11N3O3S2 — CID 115284684

IUPAC2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1nc(N)sc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H11N3O3S2/c1-5-8(19-11(12)13-5)9(15)14-7(10(16)17)6-3-2-4-18-6/h2-4,7H,1H3,(H2,12,13)(H,14,15)(H,16,17)
InChIKeyFODOYMQKSICIGQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.65
Rot. Bonds4

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

2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284684) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284684
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1nc(N)sc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H11N3O3S2/c1-5-8(19-11(12)13-5)9(15)14-7(10(16)17)6-3-2-4-18-6/h2-4,7H,1H3,(H2,12,13)(H,14,15)(H,16,17)
InChIKeyFODOYMQKSICIGQ-UHFFFAOYSA-N
XLogP1.65
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 62794621
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79101089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115284684) is 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid is Cc1nc(N)sc1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is FODOYMQKSICIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c1-5-8(19-11(12)13-5)9(15)14-7(10(16)17)6-3-2-4-18-6/h2-4,7H,1H3,(H2,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 297.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).