5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

C12H12N2O3S2 — CID 43356569

IUPAC5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2cc(C)c(C(=O)O)s2)s1
InChIInChI=1S/C12H12N2O3S2/c1-5-4-8(19-9(5)12(16)17)14-11(15)10-6(2)13-7(3)18-10/h4H,1-3H3,(H,14,15)(H,16,17)
InChIKeyXLQKFIMELQIFLW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.08
Rot. Bonds3

About 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43356569) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID43356569
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2cc(C)c(C(=O)O)s2)s1
InChIInChI=1S/C12H12N2O3S2/c1-5-4-8(19-9(5)12(16)17)14-11(15)10-6(2)13-7(3)18-10/h4H,1-3H3,(H,14,15)(H,16,17)
InChIKeyXLQKFIMELQIFLW-UHFFFAOYSA-N
XLogP3.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 43356569) is 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1nc(C)c(C(=O)Nc2cc(C)c(C(=O)O)s2)s1.
What is the InChIKey of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is XLQKFIMELQIFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-5-4-8(19-9(5)12(16)17)14-11(15)10-6(2)13-7(3)18-10/h4H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).