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

C19H15ClFN5S — CID 53034325

IUPAC3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
SMILESCc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)c1
InChIInChI=1S/C19H15ClFN5S/c1-10-3-4-11(2)13(7-10)16-9-27-19(23-16)17-18(22)26(25-24-17)12-5-6-15(21)14(20)8-12/h3-9H,22H2,1-2H3
InChIKeyIIQGNXBGGJKOLS-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.05
Rot. Bonds3

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

3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine (PubChem CID 53034325) has the molecular formula C19H15ClFN5S and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
PubChem CID53034325
Molecular FormulaC19H15ClFN5S
Molecular Weight399.88 g/mol
Exact Mass399.07
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
SMILESCc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)c1
InChIInChI=1S/C19H15ClFN5S/c1-10-3-4-11(2)13(7-10)16-9-27-19(23-16)17-18(22)26(25-24-17)12-5-6-15(21)14(20)8-12/h3-9H,22H2,1-2H3
InChIKeyIIQGNXBGGJKOLS-UHFFFAOYSA-N
XLogP5.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]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

Related Compounds

3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methylphenyl)triazol-4-amine
CID 53034314
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034256
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034218
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904400
2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 53337595
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034220
5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
CID 46197538
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine (CID 53034325) is 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine is Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The InChIKey is IIQGNXBGGJKOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5S/c1-10-3-4-11(2)13(7-10)16-9-27-19(23-16)17-18(22)26(25-24-17)12-5-6-15(21)14(20)8-12/h3-9H,22H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine has a molecular weight of 399.88 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine is sourced from PubChem (CID 53034325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).