2-(2-phenylethyl)-4-thiophen-3-yltriazole

C14H13N3S — CID 102048495

IUPAC2-(2-phenylethyl)-4-thiophen-3-yltriazole
SMILESc1ccc(CCn2ncc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H13N3S/c1-2-4-12(5-3-1)6-8-17-15-10-14(16-17)13-7-9-18-11-13/h1-5,7,9-11H,6,8H2
InChIKeyDAVYWAPWFBSKHF-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-phenylethyl)-4-thiophen-3-yltriazole

2-(2-phenylethyl)-4-thiophen-3-yltriazole (PubChem CID 102048495) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-thiophen-3-yltriazole.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-thiophen-3-yltriazole
PubChem CID102048495
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-(2-phenylethyl)-4-thiophen-3-yltriazole
SMILESc1ccc(CCn2ncc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H13N3S/c1-2-4-12(5-3-1)6-8-17-15-10-14(16-17)13-7-9-18-11-13/h1-5,7,9-11H,6,8H2
InChIKeyDAVYWAPWFBSKHF-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenylethyl)-4-thiophen-3-yltriazole 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-(1-phenylethyl)-4-[(Z)-2-thiophen-2-ylethenyl]triazole
CID 168270673
4-(2,4-Difluorophenyl)-2-(4-methylsulfanylphenyl)triazole
CID 172433919
N,N-dimethyl-4-(4-thiophen-3-yltriazol-2-yl)aniline
CID 172435546
1-Benzyl-4-thiophen-2-yltriazole
CID 11715687
4-Thiophen-2-ylpyridazine
CID 12705249
4-[2-(Cyclopropylidenemethyl)thiophen-3-yl]-1-(4-methylphenyl)sulfonyltriazole
CID 102362841
4-(Thiophen-3-yl)-1h-1,2,3-triazole
CID 9834007
4-(2-Thienyl)-1H-1,2,3-triazole
CID 9964146
1-Thiophen-3-yl-4-phenyl-1h-1,2,3-triazole
CID 90410675
4-phenyl-1-(thiophen-2-yl)-1H-1,2,3-triazole
CID 90411498
4-phenyl-5-thiophen-2-yl-2H-triazole
CID 91548128
1-Benzyl-4-(thiophen-3-yl)-1 h-1,2,3-triazole
CID 101551686

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-thiophen-3-yltriazole?
The IUPAC name of 2-(2-phenylethyl)-4-thiophen-3-yltriazole (CID 102048495) is 2-(2-phenylethyl)-4-thiophen-3-yltriazole.
What is the SMILES notation for 2-(2-phenylethyl)-4-thiophen-3-yltriazole?
The canonical SMILES for 2-(2-phenylethyl)-4-thiophen-3-yltriazole is c1ccc(CCn2ncc(-c3ccsc3)n2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-4-thiophen-3-yltriazole?
The InChIKey is DAVYWAPWFBSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-4-12(5-3-1)6-8-17-15-10-14(16-17)13-7-9-18-11-13/h1-5,7,9-11H,6,8H2.
What are the key properties of 2-(2-phenylethyl)-4-thiophen-3-yltriazole?
2-(2-phenylethyl)-4-thiophen-3-yltriazole has a molecular weight of 255.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-thiophen-3-yltriazole is sourced from PubChem (CID 102048495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).