4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

C16H12ClFN4S — CID 141495632

IUPAC4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Sc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H12ClFN4S/c1-10-2-8-13(9-3-10)23-16-21-14(17)20-15(22-16)19-12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,20,21,22)
InChIKeyNBMRUWHIXJNWRT-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.87
Rot. Bonds4

About 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 141495632) has the molecular formula C16H12ClFN4S and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID141495632
Molecular FormulaC16H12ClFN4S
Molecular Weight346.82 g/mol
Exact Mass346.05
IUPAC Name4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Sc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H12ClFN4S/c1-10-2-8-13(9-3-10)23-16-21-14(17)20-15(22-16)19-12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,20,21,22)
InChIKeyNBMRUWHIXJNWRT-UHFFFAOYSA-N
XLogP4.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-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

4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 141495635
4-chloro-N-(3,5-dimethylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 174869921
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
CID 172686201
2-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 21371638
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene
CID 174441356
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
N-(4-bromophenyl)-4,6-bis[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 4137872
4-chloro-6-methylsulfanyl-N-naphthalen-2-yl-1,3,5-triazin-2-amine
CID 88836175
2-chloro-4-(4-fluorophenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865441

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 141495632) is 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is Cc1ccc(Sc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is NBMRUWHIXJNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4S/c1-10-2-8-13(9-3-10)23-16-21-14(17)20-15(22-16)19-12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,20,21,22).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 346.82 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 141495632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).