2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid

C11H9N3O3S — CID 69486387

IUPAC2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
SMILESNC(=O)Nc1sc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c12-11(17)14-9-7(10(15)16)5-8(18-9)6-1-3-13-4-2-6/h1-5H,(H,15,16)(H3,12,14,17)
InChIKeyWQMBDXRUIWWHRC-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid

2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid (PubChem CID 69486387) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
PubChem CID69486387
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
SMILESNC(=O)Nc1sc(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c12-11(17)14-9-7(10(15)16)5-8(18-9)6-1-3-13-4-2-6/h1-5H,(H,15,16)(H3,12,14,17)
InChIKeyWQMBDXRUIWWHRC-UHFFFAOYSA-N
XLogP2.00
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 68502179
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 59525720
2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid
CID 57423489
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
carbamoyl 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxylate
CID 91393308
2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
CID 44560752
5-phenyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 68769318
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid
CID 59373450
(2S)-2-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-3-phenylpropanoic acid
CID 59273159
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
CID 75070149
2-[(4-tert-butylbenzoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 28860572

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid (CID 69486387) is 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid is NC(=O)Nc1sc(-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
The InChIKey is WQMBDXRUIWWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-11(17)14-9-7(10(15)16)5-8(18-9)6-1-3-13-4-2-6/h1-5H,(H,15,16)(H3,12,14,17).
What are the key properties of 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid?
2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 69486387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).