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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Related Compounds

4-N-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 87103844
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826975
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4-[2-(4-fluorophenyl)ethynyl]-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 166452191
2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-N-(4-chlorophenyl)-6-(4-methylphenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065296
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062

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).