3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride

C17H14ClN3OS — CID 3043867

IUPAC3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride
SMILESCl.O=C1CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12
InChIInChI=1S/C17H13N3OS.ClH/c21-14-11-22-17-19-18-15(12-7-3-1-4-8-12)16(20(14)17)13-9-5-2-6-10-13;/h1-10,16H,11H2;1H
InChIKeyYZKJWUSMCCVTPS-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.50
Rot. Bonds2

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

3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride (PubChem CID 3043867) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride.

Molecular Properties

Compound Name3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride
PubChem CID3043867
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride
SMILESCl.O=C1CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12
InChIInChI=1S/C17H13N3OS.ClH/c21-14-11-22-17-19-18-15(12-7-3-1-4-8-12)16(20(14)17)13-9-5-2-6-10-13;/h1-10,16H,11H2;1H
InChIKeyYZKJWUSMCCVTPS-UHFFFAOYSA-N
XLogP3.50
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride?
The IUPAC name of 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride (CID 3043867) is 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride.
What is the SMILES notation for 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride?
The canonical SMILES for 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride is Cl.O=C1CSC2=NN=C(c3ccccc3)C(c3ccccc3)N12.
What is the InChIKey of 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride?
The InChIKey is YZKJWUSMCCVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS.ClH/c21-14-11-22-17-19-18-15(12-7-3-1-4-8-12)16(20(14)17)13-9-5-2-6-10-13;/h1-10,16H,11H2;1H.
What are the key properties of 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride?
3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one;hydrochloride is sourced from PubChem (CID 3043867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).