5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid

C12H12N2O3S2 — CID 55248375

IUPAC5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2scnc2C)s1
InChIInChI=1S/C12H12N2O3S2/c1-3-7-4-8(12(16)17)11(19-7)14-10(15)9-6(2)13-5-18-9/h4-5H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNKMVIFNDFYNEFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds4

About 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 55248375) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID55248375
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2scnc2C)s1
InChIInChI=1S/C12H12N2O3S2/c1-3-7-4-8(12(16)17)11(19-7)14-10(15)9-6(2)13-5-18-9/h4-5H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNKMVIFNDFYNEFF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (CID 55248375) is 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2scnc2C)s1.
What is the InChIKey of 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NKMVIFNDFYNEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-3-7-4-8(12(16)17)11(19-7)14-10(15)9-6(2)13-5-18-9/h4-5H,3H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55248375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).