1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole

C16H15ClFN3S — CID 70501964

IUPAC1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole
SMILESCc1sccc1CC(F)(Cn1ccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFN3S/c1-12-13(6-9-22-12)10-16(18,11-21-8-7-19-20-21)14-2-4-15(17)5-3-14/h2-9H,10-11H2,1H3
InChIKeyZCOIMTLWJQQOQE-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.41
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole

1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole (PubChem CID 70501964) has the molecular formula C16H15ClFN3S and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole
PubChem CID70501964
Molecular FormulaC16H15ClFN3S
Molecular Weight335.84 g/mol
Exact Mass335.07
IUPAC Name1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole
SMILESCc1sccc1CC(F)(Cn1ccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFN3S/c1-12-13(6-9-22-12)10-16(18,11-21-8-7-19-20-21)14-2-4-15(17)5-3-14/h2-9H,10-11H2,1H3
InChIKeyZCOIMTLWJQQOQE-UHFFFAOYSA-N
XLogP4.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole 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

1-[2-(4-Chlorophenyl)-3-[(4-chlorophenyl)methylsulfanyl]-2-fluoropropyl]triazole
CID 70501735
1-[2-(4-Chlorophenyl)-3-(4-chlorophenyl)sulfanyl-2-fluoropropyl]triazole
CID 70501767
4-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]-2H-triazole
CID 70501965
1-[2-(4-Chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole
CID 70502241
1-[2-(4-Chlorophenyl)-3-ethylsulfanyl-2-fluoropropyl]triazole
CID 70502251
1-[2-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethylsulfanyl]-2-fluoropropyl]triazole
CID 70502376
1-[2-(4-Chlorophenyl)-2-fluoro-2-(2-methylthiophen-3-yl)ethyl]triazole
CID 70502650
1-[2-(4-Chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole
CID 70505516
1-Benzyl-4-[1-(5-chlorothiophen-2-yl)propan-2-yl]triazole
CID 112718879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole (CID 70501964) is 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole is Cc1sccc1CC(F)(Cn1ccnn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole?
The InChIKey is ZCOIMTLWJQQOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3S/c1-12-13(6-9-22-12)10-16(18,11-21-8-7-19-20-21)14-2-4-15(17)5-3-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole?
1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole has a molecular weight of 335.84 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole is sourced from PubChem (CID 70501964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).