4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C14H12N2O3S2 — CID 79192070

IUPAC4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H12N2O3S2/c17-12(15-10-2-1-8(5-10)14(18)19)11-7-21-13(16-11)9-3-4-20-6-9/h1-4,6-8,10H,5H2,(H,15,17)(H,18,19)
InChIKeyNUXKEHKORFLZDF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.63
Rot. Bonds4

About 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192070) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192070
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC Name4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H12N2O3S2/c17-12(15-10-2-1-8(5-10)14(18)19)11-7-21-13(16-11)9-3-4-20-6-9/h1-4,6-8,10H,5H2,(H,15,17)(H,18,19)
InChIKeyNUXKEHKORFLZDF-UHFFFAOYSA-N
XLogP2.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79192070) is 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1csc(-c2ccsc2)n1.
What is the InChIKey of 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is NUXKEHKORFLZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c17-12(15-10-2-1-8(5-10)14(18)19)11-7-21-13(16-11)9-3-4-20-6-9/h1-4,6-8,10H,5H2,(H,15,17)(H,18,19).
What are the key properties of 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 320.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).