4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H16N6OS — CID 106928400

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1coc(Sc2nc(N)nc(N3CCCCC3)n2)n1
InChIInChI=1S/C12H16N6OS/c1-8-7-19-12(14-8)20-11-16-9(13)15-10(17-11)18-5-3-2-4-6-18/h7H,2-6H2,1H3,(H2,13,15,16,17)
InChIKeyDIINJVKWNYPCRZ-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.89
Rot. Bonds3

About 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106928400) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106928400
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1coc(Sc2nc(N)nc(N3CCCCC3)n2)n1
InChIInChI=1S/C12H16N6OS/c1-8-7-19-12(14-8)20-11-16-9(13)15-10(17-11)18-5-3-2-4-6-18/h7H,2-6H2,1H3,(H2,13,15,16,17)
InChIKeyDIINJVKWNYPCRZ-UHFFFAOYSA-N
XLogP1.89
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106928518
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106928670
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-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
N-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80882736

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 106928400) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is Cc1coc(Sc2nc(N)nc(N3CCCCC3)n2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DIINJVKWNYPCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-8-7-19-12(14-8)20-11-16-9(13)15-10(17-11)18-5-3-2-4-6-18/h7H,2-6H2,1H3,(H2,13,15,16,17).
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 292.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106928400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).