6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine

C18H15N3S — CID 3043860

IUPAC6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
SMILESCC1=CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12
InChIInChI=1S/C18H15N3S/c1-13-12-22-18-20-19-16(14-8-4-2-5-9-14)17(21(13)18)15-10-6-3-7-11-15/h2-12,17H,1H3
InChIKeyDIXHOBFDGBYNJQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.41
Rot. Bonds2

About 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine

6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine (PubChem CID 3043860) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine.

Molecular Properties

Compound Name6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
PubChem CID3043860
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
SMILESCC1=CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12
InChIInChI=1S/C18H15N3S/c1-13-12-22-18-20-19-16(14-8-4-2-5-9-14)17(21(13)18)15-10-6-3-7-11-15/h2-12,17H,1H3
InChIKeyDIXHOBFDGBYNJQ-UHFFFAOYSA-N
XLogP4.41
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
The IUPAC name of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine (CID 3043860) is 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine.
What is the SMILES notation for 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
The canonical SMILES for 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine is CC1=CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12.
What is the InChIKey of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
The InChIKey is DIXHOBFDGBYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-13-12-22-18-20-19-16(14-8-4-2-5-9-14)17(21(13)18)15-10-6-3-7-11-15/h2-12,17H,1H3.
What are the key properties of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine has a molecular weight of 305.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine is sourced from PubChem (CID 3043860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).