1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid

C14H12ClFN2O3S2 — CID 119258122

IUPAC1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H12ClFN2O3S2/c15-10-2-1-9(23-10)12-17-8(6-22-12)5-11(19)18-4-3-14(16,7-18)13(20)21/h1-2,6H,3-5,7H2,(H,20,21)
InChIKeyBEFVEJVAQPVQPY-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258122) has the molecular formula C14H12ClFN2O3S2 and a molecular weight of 374.85 g/mol. Its IUPAC name is 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258122
Molecular FormulaC14H12ClFN2O3S2
Molecular Weight374.85 g/mol
Exact Mass374.00
IUPAC Name1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H12ClFN2O3S2/c15-10-2-1-9(23-10)12-17-8(6-22-12)5-11(19)18-4-3-14(16,7-18)13(20)21/h1-2,6H,3-5,7H2,(H,20,21)
InChIKeyBEFVEJVAQPVQPY-UHFFFAOYSA-N
XLogP3.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-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 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119258122) is 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is BEFVEJVAQPVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3S2/c15-10-2-1-9(23-10)12-17-8(6-22-12)5-11(19)18-4-3-14(16,7-18)13(20)21/h1-2,6H,3-5,7H2,(H,20,21).
What are the key properties of 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 374.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).