3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine

C15H15FN4S2 — CID 851524

IUPAC3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine
SMILESCc1ccsc1CNn1cnnc1SCc1ccccc1F
InChIInChI=1S/C15H15FN4S2/c1-11-6-7-21-14(11)8-18-20-10-17-19-15(20)22-9-12-4-2-3-5-13(12)16/h2-7,10,18H,8-9H2,1H3
InChIKeyBHTAVZKOVCKAAO-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.82
Rot. Bonds6

About 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine

3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine (PubChem CID 851524) has the molecular formula C15H15FN4S2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine
PubChem CID851524
Molecular FormulaC15H15FN4S2
Molecular Weight334.44 g/mol
Exact Mass334.07
IUPAC Name3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine
SMILESCc1ccsc1CNn1cnnc1SCc1ccccc1F
InChIInChI=1S/C15H15FN4S2/c1-11-6-7-21-14(11)8-18-20-10-17-19-15(20)22-9-12-4-2-3-5-13(12)16/h2-7,10,18H,8-9H2,1H3
InChIKeyBHTAVZKOVCKAAO-UHFFFAOYSA-N
XLogP3.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine (CID 851524) is 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine is Cc1ccsc1CNn1cnnc1SCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine?
The InChIKey is BHTAVZKOVCKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S2/c1-11-6-7-21-14(11)8-18-20-10-17-19-15(20)22-9-12-4-2-3-5-13(12)16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine?
3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine has a molecular weight of 334.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfanyl]-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 851524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).