3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide

C21H22N4OS — CID 166613539

IUPAC3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C21H22N4OS/c26-20(21(14-23-15-21)11-16-5-2-1-3-6-16)24-10-8-18-13-27-19(25-18)17-7-4-9-22-12-17/h1-7,9,12-13,23H,8,10-11,14-15H2,(H,24,26)
InChIKeyGCFJCQSYNFHNTQ-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.70
Rot. Bonds7

About 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide

3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide (PubChem CID 166613539) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide
PubChem CID166613539
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C21H22N4OS/c26-20(21(14-23-15-21)11-16-5-2-1-3-6-16)24-10-8-18-13-27-19(25-18)17-7-4-9-22-12-17/h1-7,9,12-13,23H,8,10-11,14-15H2,(H,24,26)
InChIKeyGCFJCQSYNFHNTQ-UHFFFAOYSA-N
XLogP2.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 155493540
3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
CID 166615999
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266965
cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97222508
6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 110624969
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide (CID 166613539) is 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)C1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is GCFJCQSYNFHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-20(21(14-23-15-21)11-16-5-2-1-3-6-16)24-10-8-18-13-27-19(25-18)17-7-4-9-22-12-17/h1-7,9,12-13,23H,8,10-11,14-15H2,(H,24,26).
What are the key properties of 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide?
3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 166613539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).