5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

C14H16N2S — CID 112645466

IUPAC5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1cccc(C2(Cc3cncs3)CNC2)c1
InChIInChI=1S/C14H16N2S/c1-11-3-2-4-12(5-11)14(8-16-9-14)6-13-7-15-10-17-13/h2-5,7,10,16H,6,8-9H2,1H3
InChIKeyZNMIAZQCEWTETO-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.54
Rot. Bonds3

About 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (PubChem CID 112645466) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
PubChem CID112645466
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1cccc(C2(Cc3cncs3)CNC2)c1
InChIInChI=1S/C14H16N2S/c1-11-3-2-4-12(5-11)14(8-16-9-14)6-13-7-15-10-17-13/h2-5,7,10,16H,6,8-9H2,1H3
InChIKeyZNMIAZQCEWTETO-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole 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

5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 112645464
3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79460270
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 112645456
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
CID 79459804
3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine
CID 79459975
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642897
5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1,3-thiazole
CID 112645336
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (CID 112645466) is 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is Cc1cccc(C2(Cc3cncs3)CNC2)c1.
What is the InChIKey of 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The InChIKey is ZNMIAZQCEWTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-3-2-4-12(5-11)14(8-16-9-14)6-13-7-15-10-17-13/h2-5,7,10,16H,6,8-9H2,1H3.
What are the key properties of 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 112645466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).