6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine

C15H17N7OS — CID 146125853

IUPAC6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nnc(C(C)Sc3nc(N)nc(N)n3)o2)cc1C
InChIInChI=1S/C15H17N7OS/c1-7-4-5-10(6-8(7)2)12-22-21-11(23-12)9(3)24-15-19-13(16)18-14(17)20-15/h4-6,9H,1-3H3,(H4,16,17,18,19,20)
InChIKeySUWRXSQCFLJCQD-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.56
Rot. Bonds4

About 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine

6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 146125853) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID146125853
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nnc(C(C)Sc3nc(N)nc(N)n3)o2)cc1C
InChIInChI=1S/C15H17N7OS/c1-7-4-5-10(6-8(7)2)12-22-21-11(23-12)9(3)24-15-19-13(16)18-14(17)20-15/h4-6,9H,1-3H3,(H4,16,17,18,19,20)
InChIKeySUWRXSQCFLJCQD-UHFFFAOYSA-N
XLogP2.56
TPSA129.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-(3,4-dimethylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629590
2-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine
CID 24670119
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
2-(3,4-dimethoxyphenyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55390132
ethyl 2-[[(1S)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetate
CID 96541250
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092

Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine (CID 146125853) is 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nnc(C(C)Sc3nc(N)nc(N)n3)o2)cc1C.
What is the InChIKey of 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SUWRXSQCFLJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-7-4-5-10(6-8(7)2)12-22-21-11(23-12)9(3)24-15-19-13(16)18-14(17)20-15/h4-6,9H,1-3H3,(H4,16,17,18,19,20).
What are the key properties of 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine?
6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 343.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146125853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).