3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole

C15H14ClN3S — CID 63385206

IUPAC3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
SMILESCC(Cc1cccs1)n1c(Cl)nnc1-c1ccccc1
InChIInChI=1S/C15H14ClN3S/c1-11(10-13-8-5-9-20-13)19-14(17-18-15(19)16)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyHWBJDTYEGHWLDD-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.46
Rot. Bonds4

About 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole

3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole (PubChem CID 63385206) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
PubChem CID63385206
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
SMILESCC(Cc1cccs1)n1c(Cl)nnc1-c1ccccc1
InChIInChI=1S/C15H14ClN3S/c1-11(10-13-8-5-9-20-13)19-14(17-18-15(19)16)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyHWBJDTYEGHWLDD-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-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

3-chloro-5-propan-2-yl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
CID 63385159
3-chloro-4-(4-methylpentan-2-yl)-5-phenyl-1,2,4-triazole
CID 63384558
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
3-chloro-4-pentan-3-yl-5-phenyl-1,2,4-triazole
CID 63384340
7-chloro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 104836476
4-chloro-2-(2-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 104838120
2-(2-chloroethyl)-5-methyl-3-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 81139327
3-chloro-4-(1-cyclohexylpropyl)-5-phenyl-1,2,4-triazole
CID 63385783
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
3-chloro-4-[(4,5-dimethylthiophen-2-yl)methyl]-5-phenyl-1,2,4-triazole
CID 65245423
3-tert-butyl-5-chloro-4-(1-phenylpropan-2-yl)-1,2,4-triazole
CID 63385642
6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 65346021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole (CID 63385206) is 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole is CC(Cc1cccs1)n1c(Cl)nnc1-c1ccccc1.
What is the InChIKey of 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole?
The InChIKey is HWBJDTYEGHWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-11(10-13-8-5-9-20-13)19-14(17-18-15(19)16)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole?
3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole has a molecular weight of 303.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 63385206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).