5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole

C14H10F3N3S2 — CID 7857259

IUPAC5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)(F)c1ccccc1CSc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C14H10F3N3S2/c15-14(16,17)10-5-2-1-4-9(10)8-22-13-18-12(19-20-13)11-6-3-7-21-11/h1-7H,8H2,(H,18,19,20)
InChIKeyQSZXCUGVFFAPMG-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.84
Rot. Bonds4

About 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole

5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole (PubChem CID 7857259) has the molecular formula C14H10F3N3S2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
PubChem CID7857259
Molecular FormulaC14H10F3N3S2
Molecular Weight341.38 g/mol
Exact Mass341.03
IUPAC Name5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)(F)c1ccccc1CSc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C14H10F3N3S2/c15-14(16,17)10-5-2-1-4-9(10)8-22-13-18-12(19-20-13)11-6-3-7-21-11/h1-7H,8H2,(H,18,19,20)
InChIKeyQSZXCUGVFFAPMG-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-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-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857218
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4274700
3-[(4-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 2427019
3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857275
2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7857109
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6927999
3-pentylsulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 75415148
1-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7457488
2-propan-2-yl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 56808787
2,2,2-trifluoro-N-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]acetamide
CID 71968288
3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432733
4-cyclopropyl-3-thiophen-2-yl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 7649306

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole (CID 7857259) is 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole is FC(F)(F)c1ccccc1CSc1n[nH]c(-c2cccs2)n1.
What is the InChIKey of 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole?
The InChIKey is QSZXCUGVFFAPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S2/c15-14(16,17)10-5-2-1-4-9(10)8-22-13-18-12(19-20-13)11-6-3-7-21-11/h1-7H,8H2,(H,18,19,20).
What are the key properties of 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole?
5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole has a molecular weight of 341.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 7857259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).