4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine

C13H20ClN5S — CID 107297724

IUPAC4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CCSC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H20ClN5S/c14-11-16-12(15-8-10-4-7-20-9-10)18-13(17-11)19-5-2-1-3-6-19/h10H,1-9H2,(H,15,16,17,18)
InChIKeyGEDRTYIRKADBSS-UHFFFAOYSA-N
MW313.86 g/mol
LogP2.68
Rot. Bonds4

About 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 107297724) has the molecular formula C13H20ClN5S and a molecular weight of 313.86 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID107297724
Molecular FormulaC13H20ClN5S
Molecular Weight313.86 g/mol
Exact Mass313.11
IUPAC Name4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CCSC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H20ClN5S/c14-11-16-12(15-8-10-4-7-20-9-10)18-13(17-11)19-5-2-1-3-6-19/h10H,1-9H2,(H,15,16,17,18)
InChIKeyGEDRTYIRKADBSS-UHFFFAOYSA-N
XLogP2.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.86
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine (CID 107297724) is 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(NCC2CCSC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is GEDRTYIRKADBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5S/c14-11-16-12(15-8-10-4-7-20-9-10)18-13(17-11)19-5-2-1-3-6-19/h10H,1-9H2,(H,15,16,17,18).
What are the key properties of 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 313.86 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107297724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).