6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C16H19N7OS — CID 47065431

IUPAC6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1noc(C(C)SCc2nc(N)nc(Nc3ccccc3C)n2)n1
InChIInChI=1S/C16H19N7OS/c1-9-6-4-5-7-12(9)19-16-21-13(20-15(17)22-16)8-25-10(2)14-18-11(3)23-24-14/h4-7,10H,8H2,1-3H3,(H3,17,19,20,21,22)
InChIKeyMUQGCAGECTXHDO-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.19
Rot. Bonds6

About 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 47065431) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID47065431
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1noc(C(C)SCc2nc(N)nc(Nc3ccccc3C)n2)n1
InChIInChI=1S/C16H19N7OS/c1-9-6-4-5-7-12(9)19-16-21-13(20-15(17)22-16)8-25-10(2)14-18-11(3)23-24-14/h4-7,10H,8H2,1-3H3,(H3,17,19,20,21,22)
InChIKeyMUQGCAGECTXHDO-UHFFFAOYSA-N
XLogP3.19
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 47065431) is 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1noc(C(C)SCc2nc(N)nc(Nc3ccccc3C)n2)n1.
What is the InChIKey of 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MUQGCAGECTXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-9-6-4-5-7-12(9)19-16-21-13(20-15(17)22-16)8-25-10(2)14-18-11(3)23-24-14/h4-7,10H,8H2,1-3H3,(H3,17,19,20,21,22).
What are the key properties of 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 357.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 47065431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).