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

C11H10N2O3S2 — CID 55248184

IUPAC5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2scnc2C)s1
InChIInChI=1S/C11H10N2O3S2/c1-5-3-7(11(15)16)10(18-5)13-9(14)8-6(2)12-4-17-8/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyRQZODTRYBBDUEW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.77
Rot. Bonds3

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

5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 55248184) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID55248184
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2scnc2C)s1
InChIInChI=1S/C11H10N2O3S2/c1-5-3-7(11(15)16)10(18-5)13-9(14)8-6(2)12-4-17-8/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyRQZODTRYBBDUEW-UHFFFAOYSA-N
XLogP2.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid (CID 55248184) is 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2scnc2C)s1.
What is the InChIKey of 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is RQZODTRYBBDUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-5-3-7(11(15)16)10(18-5)13-9(14)8-6(2)12-4-17-8/h3-4H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 282.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55248184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).