3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine

C17H21NS — CID 79460256

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine
SMILESCCc1ccc(CC2(c3ccccc3C)CNC2)s1
InChIInChI=1S/C17H21NS/c1-3-14-8-9-15(19-14)10-17(11-18-12-17)16-7-5-4-6-13(16)2/h4-9,18H,3,10-12H2,1-2H3
InChIKeyYLRZWYGGZATUQO-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.70
Rot. Bonds4

About 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine

3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine (PubChem CID 79460256) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine
PubChem CID79460256
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine
SMILESCCc1ccc(CC2(c3ccccc3C)CNC2)s1
InChIInChI=1S/C17H21NS/c1-3-14-8-9-15(19-14)10-17(11-18-12-17)16-7-5-4-6-13(16)2/h4-9,18H,3,10-12H2,1-2H3
InChIKeyYLRZWYGGZATUQO-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine 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 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine (CID 79460256) is 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine is CCc1ccc(CC2(c3ccccc3C)CNC2)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine?
The InChIKey is YLRZWYGGZATUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-14-8-9-15(19-14)10-17(11-18-12-17)16-7-5-4-6-13(16)2/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine?
3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine has a molecular weight of 271.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 79460256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).