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

C18H16ClN3S — CID 3043866

IUPAC6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride
SMILESCC1=CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12.Cl
InChIInChI=1S/C18H15N3S.ClH/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;1H
InChIKeyVNTCAUDGEUCPMF-UHFFFAOYSA-N
MW341.87 g/mol
LogP4.83
Rot. Bonds2

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

6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride (PubChem CID 3043866) has the molecular formula C18H16ClN3S and a molecular weight of 341.87 g/mol. Its IUPAC name is 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride.

Molecular Properties

Compound Name6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride
PubChem CID3043866
Molecular FormulaC18H16ClN3S
Molecular Weight341.87 g/mol
Exact Mass341.08
IUPAC Name6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride
SMILESCC1=CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12.Cl
InChIInChI=1S/C18H15N3S.ClH/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;1H
InChIKeyVNTCAUDGEUCPMF-UHFFFAOYSA-N
XLogP4.83
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.87
LogP ≤ 54.83
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;hydrochloride?
The IUPAC name of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride (CID 3043866) is 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride.
What is the SMILES notation for 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride?
The canonical SMILES for 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride is CC1=CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12.Cl.
What is the InChIKey of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride?
The InChIKey is VNTCAUDGEUCPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S.ClH/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;1H.
What are the key properties of 6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride?
6-methyl-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine;hydrochloride has a molecular weight of 341.87 g/mol, XLogP of 4.83, 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;hydrochloride is sourced from PubChem (CID 3043866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).