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

C17H15ClN4S — CID 141495635

IUPAC4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(Sc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4S/c1-11-3-7-13(8-4-11)19-16-20-15(18)21-17(22-16)23-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyHAGGZZAKOUOZJJ-UHFFFAOYSA-N
MW342.86 g/mol
LogP5.04
Rot. Bonds4

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

4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 141495635) has the molecular formula C17H15ClN4S and a molecular weight of 342.86 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID141495635
Molecular FormulaC17H15ClN4S
Molecular Weight342.86 g/mol
Exact Mass342.07
IUPAC Name4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(Sc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4S/c1-11-3-7-13(8-4-11)19-16-20-15(18)21-17(22-16)23-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyHAGGZZAKOUOZJJ-UHFFFAOYSA-N
XLogP5.04
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.86
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-fluorophenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 141495632
4-chloro-N-(3,5-dimethylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 174869921
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
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 826222
4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
CID 62865788
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
4-chloro-6-methylsulfanyl-N-naphthalen-2-yl-1,3,5-triazin-2-amine
CID 88836175
4-chloro-6-(4-methylphenyl)-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 86176201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 141495635) is 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(Cl)nc(Sc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is HAGGZZAKOUOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4S/c1-11-3-7-13(8-4-11)19-16-20-15(18)21-17(22-16)23-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 342.86 g/mol, XLogP of 5.04, 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-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 141495635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).