5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine

C18H14FN5S — CID 53034257

IUPAC5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2N)cc1
InChIInChI=1S/C18H14FN5S/c1-11-2-8-14(9-3-11)24-17(20)16(22-23-24)18-21-15(10-25-18)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3
InChIKeyQPVKFFWQUUHUQC-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.09
Rot. Bonds3

About 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine (PubChem CID 53034257) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
PubChem CID53034257
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2N)cc1
InChIInChI=1S/C18H14FN5S/c1-11-2-8-14(9-3-11)24-17(20)16(22-23-24)18-21-15(10-25-18)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3
InChIKeyQPVKFFWQUUHUQC-UHFFFAOYSA-N
XLogP4.09
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)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 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
The IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine (CID 53034257) is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine is Cc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2N)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
The InChIKey is QPVKFFWQUUHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-11-2-8-14(9-3-11)24-17(20)16(22-23-24)18-21-15(10-25-18)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine has a molecular weight of 351.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine is sourced from PubChem (CID 53034257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).