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

C15H15N5O2S — CID 172692203

IUPAC4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2cnc(CSc3nc(C)nc(N)n3)o2)cc1
InChIInChI=1S/C15H15N5O2S/c1-9-18-14(16)20-15(19-9)23-8-13-17-7-12(22-13)10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H2,16,18,19,20)
InChIKeyBVGPXEQOOZOAGV-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.72
Rot. Bonds5

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

4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 172692203) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID172692203
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2cnc(CSc3nc(C)nc(N)n3)o2)cc1
InChIInChI=1S/C15H15N5O2S/c1-9-18-14(16)20-15(19-9)23-8-13-17-7-12(22-13)10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H2,16,18,19,20)
InChIKeyBVGPXEQOOZOAGV-UHFFFAOYSA-N
XLogP2.72
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine (CID 172692203) is 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(-c2cnc(CSc3nc(C)nc(N)n3)o2)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is BVGPXEQOOZOAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-18-14(16)20-15(19-9)23-8-13-17-7-12(22-13)10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 329.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 172692203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).