N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

C9H13N3OS — CID 61284458

IUPACN-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nccs1)C1CCCN1
InChIInChI=1S/C9H13N3OS/c13-9(7-2-1-3-10-7)12-6-8-11-4-5-14-8/h4-5,7,10H,1-3,6H2,(H,12,13)
InChIKeyPGEOJMCXUYJALV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.51
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61284458) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61284458
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nccs1)C1CCCN1
InChIInChI=1S/C9H13N3OS/c13-9(7-2-1-3-10-7)12-6-8-11-4-5-14-8/h4-5,7,10H,1-3,6H2,(H,12,13)
InChIKeyPGEOJMCXUYJALV-UHFFFAOYSA-N
XLogP0.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-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 N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 61284458) is N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1nccs1)C1CCCN1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is PGEOJMCXUYJALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(7-2-1-3-10-7)12-6-8-11-4-5-14-8/h4-5,7,10H,1-3,6H2,(H,12,13).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61284458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).