3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine

C16H18FNS — CID 79460562

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
SMILESCCc1ccc(CC2(c3ccc(F)cc3)CNC2)s1
InChIInChI=1S/C16H18FNS/c1-2-14-7-8-15(19-14)9-16(10-18-11-16)12-3-5-13(17)6-4-12/h3-8,18H,2,9-11H2,1H3
InChIKeyZZCLCVQOWKSENV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.53
Rot. Bonds4

About 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine

3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine (PubChem CID 79460562) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
PubChem CID79460562
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
SMILESCCc1ccc(CC2(c3ccc(F)cc3)CNC2)s1
InChIInChI=1S/C16H18FNS/c1-2-14-7-8-15(19-14)9-16(10-18-11-16)12-3-5-13(17)6-4-12/h3-8,18H,2,9-11H2,1H3
InChIKeyZZCLCVQOWKSENV-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine 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

3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine
CID 112563362
3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine
CID 79460256
3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine
CID 79460617
3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine
CID 79460309
1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole
CID 79460063
3-(4-fluorophenyl)-3-(furan-3-ylmethyl)azetidine
CID 83183543
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
CID 79460170
2,5-diethylthiophene
CID 521294
3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine
CID 83065911
5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019187

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine (CID 79460562) is 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine is CCc1ccc(CC2(c3ccc(F)cc3)CNC2)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine?
The InChIKey is ZZCLCVQOWKSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-2-14-7-8-15(19-14)9-16(10-18-11-16)12-3-5-13(17)6-4-12/h3-8,18H,2,9-11H2,1H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine?
3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine has a molecular weight of 275.39 g/mol, XLogP of 3.53, 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-(4-fluorophenyl)azetidine is sourced from PubChem (CID 79460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).