2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine

C14H14Cl2N4S — CID 62867574

IUPAC2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
SMILESClc1cccc(Sc2nc(Cl)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C14H14Cl2N4S/c15-10-5-4-6-11(9-10)21-14-18-12(16)17-13(19-14)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8H2
InChIKeyAXKWVOBYXRZSGA-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.32
Rot. Bonds3

About 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62867574) has the molecular formula C14H14Cl2N4S and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62867574
Molecular FormulaC14H14Cl2N4S
Molecular Weight341.27 g/mol
Exact Mass340.03
IUPAC Name2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
SMILESClc1cccc(Sc2nc(Cl)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C14H14Cl2N4S/c15-10-5-4-6-11(9-10)21-14-18-12(16)17-13(19-14)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8H2
InChIKeyAXKWVOBYXRZSGA-UHFFFAOYSA-N
XLogP4.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine (CID 62867574) is 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine is Clc1cccc(Sc2nc(Cl)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is AXKWVOBYXRZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4S/c15-10-5-4-6-11(9-10)21-14-18-12(16)17-13(19-14)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8H2.
What are the key properties of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 341.27 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62867574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).