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

C14H16FN5S — CID 80872848

IUPAC4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2ccccc2F)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16FN5S/c15-10-6-2-3-7-11(10)21-14-18-12(16)17-13(19-14)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9H2,(H2,16,17,18,19)
InChIKeyKJXWJRHAEJLBTA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.73
Rot. Bonds3

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

4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80872848) has the molecular formula C14H16FN5S and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80872848
Molecular FormulaC14H16FN5S
Molecular Weight305.38 g/mol
Exact Mass305.11
IUPAC Name4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2ccccc2F)nc(N2CCCCC2)n1
InChIInChI=1S/C14H16FN5S/c15-10-6-2-3-7-11(10)21-14-18-12(16)17-13(19-14)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9H2,(H2,16,17,18,19)
InChIKeyKJXWJRHAEJLBTA-UHFFFAOYSA-N
XLogP2.73
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80872848) is 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(Sc2ccccc2F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KJXWJRHAEJLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5S/c15-10-6-2-3-7-11(10)21-14-18-12(16)17-13(19-14)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-9H2,(H2,16,17,18,19).
What are the key properties of 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).