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

C11H10N2O3S2 — CID 18071779

IUPAC3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2scnc2C)sc1C(=O)O
InChIInChI=1S/C11H10N2O3S2/c1-5-3-7(18-8(5)11(15)16)13-10(14)9-6(2)12-4-17-9/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQZYQGAZZGOQPSP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.77
Rot. Bonds3

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

3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 18071779) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID18071779
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2scnc2C)sc1C(=O)O
InChIInChI=1S/C11H10N2O3S2/c1-5-3-7(18-8(5)11(15)16)13-10(14)9-6(2)12-4-17-9/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQZYQGAZZGOQPSP-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 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid (CID 18071779) is 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2scnc2C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is QZYQGAZZGOQPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-5-3-7(18-8(5)11(15)16)13-10(14)9-6(2)12-4-17-9/h3-4H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-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 3-methyl-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 18071779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).