2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid

C11H12N4O3S — CID 113278892

IUPAC2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCn1cc(NC(=O)NC(C(=O)O)c2cccs2)cn1
InChIInChI=1S/C11H12N4O3S/c1-15-6-7(5-12-15)13-11(18)14-9(10(16)17)8-3-2-4-19-8/h2-6,9H,1H3,(H,16,17)(H2,13,14,18)
InChIKeyGYNPNYZOAPSTON-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.43
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid

2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 113278892) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
PubChem CID113278892
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCn1cc(NC(=O)NC(C(=O)O)c2cccs2)cn1
InChIInChI=1S/C11H12N4O3S/c1-15-6-7(5-12-15)13-11(18)14-9(10(16)17)8-3-2-4-19-8/h2-6,9H,1H3,(H,16,17)(H2,13,14,18)
InChIKeyGYNPNYZOAPSTON-UHFFFAOYSA-N
XLogP1.43
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic 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

2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285096
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288789
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid (CID 113278892) is 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid is Cn1cc(NC(=O)NC(C(=O)O)c2cccs2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is GYNPNYZOAPSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-15-6-7(5-12-15)13-11(18)14-9(10(16)17)8-3-2-4-19-8/h2-6,9H,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid?
2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).