4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C17H15ClN4OS — CID 22732440

IUPAC4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4OS/c1-23-14-9-7-13(8-10-14)19-16-20-15(21-17(22-16)24-2)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyANZPZPPMRQHNRN-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.67
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 22732440) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID22732440
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H15ClN4OS/c1-23-14-9-7-13(8-10-14)19-16-20-15(21-17(22-16)24-2)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyANZPZPPMRQHNRN-UHFFFAOYSA-N
XLogP4.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 22732440) is 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is ANZPZPPMRQHNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-23-14-9-7-13(8-10-14)19-16-20-15(21-17(22-16)24-2)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 358.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22732440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).