5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid

C15H13N3O3S2 — CID 166290190

IUPAC5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
SMILESO=C(O)c1csc2cc(C(=O)N(Cc3nccs3)C3CC3)[nH]c12
InChIInChI=1S/C15H13N3O3S2/c19-14(18(8-1-2-8)6-12-16-3-4-22-12)10-5-11-13(17-10)9(7-23-11)15(20)21/h3-5,7-8,17H,1-2,6H2,(H,20,21)
InChIKeyXMRAKVAKIXNAAT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.19
Rot. Bonds5

About 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid

5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid (PubChem CID 166290190) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
PubChem CID166290190
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
SMILESO=C(O)c1csc2cc(C(=O)N(Cc3nccs3)C3CC3)[nH]c12
InChIInChI=1S/C15H13N3O3S2/c19-14(18(8-1-2-8)6-12-16-3-4-22-12)10-5-11-13(17-10)9(7-23-11)15(20)21/h3-5,7-8,17H,1-2,6H2,(H,20,21)
InChIKeyXMRAKVAKIXNAAT-UHFFFAOYSA-N
XLogP3.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid (CID 166290190) is 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid is O=C(O)c1csc2cc(C(=O)N(Cc3nccs3)C3CC3)[nH]c12.
What is the InChIKey of 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
The InChIKey is XMRAKVAKIXNAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-14(18(8-1-2-8)6-12-16-3-4-22-12)10-5-11-13(17-10)9(7-23-11)15(20)21/h3-5,7-8,17H,1-2,6H2,(H,20,21).
What are the key properties of 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(1,3-thiazol-2-ylmethyl)carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid is sourced from PubChem (CID 166290190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).