4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide

C9H13N3OS — CID 175882387

IUPAC4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1ncsc1C1CNC(C(N)=O)C1
InChIInChI=1S/C9H13N3OS/c1-5-8(14-4-12-5)6-2-7(9(10)13)11-3-6/h4,6-7,11H,2-3H2,1H3,(H2,10,13)
InChIKeyYIRPDMUNVAOUGG-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.38
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide

4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 175882387) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID175882387
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1ncsc1C1CNC(C(N)=O)C1
InChIInChI=1S/C9H13N3OS/c1-5-8(14-4-12-5)6-2-7(9(10)13)11-3-6/h4,6-7,11H,2-3H2,1H3,(H2,10,13)
InChIKeyYIRPDMUNVAOUGG-UHFFFAOYSA-N
XLogP0.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-methyl-1,3-thiazol-5-yl)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 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide (CID 175882387) is 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide is Cc1ncsc1C1CNC(C(N)=O)C1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is YIRPDMUNVAOUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-5-8(14-4-12-5)6-2-7(9(10)13)11-3-6/h4,6-7,11H,2-3H2,1H3,(H2,10,13).
What are the key properties of 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide?
4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175882387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).