2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid

C13H8N2O3S3 — CID 43357379

IUPAC2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H8N2O3S3/c16-10(15-12-8(13(17)18)2-4-20-12)9-6-21-11(14-9)7-1-3-19-5-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyWCLUMNBTWVELJB-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid

2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 43357379) has the molecular formula C13H8N2O3S3 and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID43357379
Molecular FormulaC13H8N2O3S3
Molecular Weight336.42 g/mol
Exact Mass335.97
IUPAC Name2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H8N2O3S3/c16-10(15-12-8(13(17)18)2-4-20-12)9-6-21-11(14-9)7-1-3-19-5-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyWCLUMNBTWVELJB-UHFFFAOYSA-N
XLogP3.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192070
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18089607
N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 115764961

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 43357379) is 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is WCLUMNBTWVELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S3/c16-10(15-12-8(13(17)18)2-4-20-12)9-6-21-11(14-9)7-1-3-19-5-7/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 336.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).