2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid

C14H14N2O3S2 — CID 61371467

IUPAC2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H14N2O3S2/c17-12(18)7-9-3-1-5-16(9)14(19)10-8-21-13(15-10)11-4-2-6-20-11/h2,4,6,8-9H,1,3,5,7H2,(H,17,18)
InChIKeyXJMRRBXMNMNOEI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371467) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61371467
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H14N2O3S2/c17-12(18)7-9-3-1-5-16(9)14(19)10-8-21-13(15-10)11-4-2-6-20-11/h2,4,6,8-9H,1,3,5,7H2,(H,17,18)
InChIKeyXJMRRBXMNMNOEI-UHFFFAOYSA-N
XLogP2.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic 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 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61371467) is 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is XJMRRBXMNMNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-12(18)7-9-3-1-5-16(9)14(19)10-8-21-13(15-10)11-4-2-6-20-11/h2,4,6,8-9H,1,3,5,7H2,(H,17,18).
What are the key properties of 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).