4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C14H16ClN5S — CID 80873072

IUPAC4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16ClN5S/c15-10-4-6-11(7-5-10)21-14-18-12(16)17-13(19-14)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H2,16,17,18,19)
InChIKeyQWOWRTMNBIUEPU-UHFFFAOYSA-N
MW321.84 g/mol
LogP3.25
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80873072) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80873072
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16ClN5S/c15-10-4-6-11(7-5-10)21-14-18-12(16)17-13(19-14)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H2,16,17,18,19)
InChIKeyQWOWRTMNBIUEPU-UHFFFAOYSA-N
XLogP3.25
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(4-fluorophenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865441
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928400
4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883602
4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80892959
4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80886210
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
CID 54135948
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80873438
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80873072) is 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QWOWRTMNBIUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5S/c15-10-4-6-11(7-5-10)21-14-18-12(16)17-13(19-14)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H2,16,17,18,19).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 321.84 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).