2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

C8H11N3OS — CID 131092459

IUPAC2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C8H11N3OS/c9-7(12)6-5-13-8(10-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,12)
InChIKeyNEUHOILBFAKOGG-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.84
Rot. Bonds2

About 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 131092459) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID131092459
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCCC2)n1
InChIInChI=1S/C8H11N3OS/c9-7(12)6-5-13-8(10-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,12)
InChIKeyNEUHOILBFAKOGG-UHFFFAOYSA-N
XLogP0.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide 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-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 131092459) is 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NEUHOILBFAKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-7(12)6-5-13-8(10-6)11-3-1-2-4-11/h5H,1-4H2,(H2,9,12).
What are the key properties of 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131092459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).