7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

C15H8Cl3N3S — CID 24847192

IUPAC7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccc(Cl)cc2SC3)c(Cl)c1
InChIInChI=1S/C15H8Cl3N3S/c16-8-1-3-10(11(18)5-8)15-20-19-14-7-22-13-6-9(17)2-4-12(13)21(14)15/h1-6H,7H2
InChIKeyLIARFYGIWNXLCI-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.50
Rot. Bonds1

About 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 24847192) has the molecular formula C15H8Cl3N3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID24847192
Molecular FormulaC15H8Cl3N3S
Molecular Weight368.68 g/mol
Exact Mass366.95
IUPAC Name7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccc(Cl)cc2SC3)c(Cl)c1
InChIInChI=1S/C15H8Cl3N3S/c16-8-1-3-10(11(18)5-8)15-20-19-14-7-22-13-6-9(17)2-4-12(13)21(14)15/h1-6H,7H2
InChIKeyLIARFYGIWNXLCI-UHFFFAOYSA-N
XLogP5.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine with MolForge

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Related Compounds

4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 1-phenyl-
CID 2816686
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 1-(4-chlorophenyl)-
CID 2816775
1-(2-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
CID 2816683
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 8-chloro-1-phenyl-
CID 3062854
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-9-chloro-5-methyl-1-phenyl-
CID 3066660
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-(4-chlorophenyl)-
CID 24847191
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-methyl-
CID 24847194
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-(4-nitrophenyl)-
CID 24847195
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-phenyl-
CID 24847196
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-(3-pyridinyl)-
CID 24847197
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-(4-pyridinyl)-
CID 24847198
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-(2-thienyl)-
CID 24847199

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 24847192) is 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Clc1ccc(-c2nnc3n2-c2ccc(Cl)cc2SC3)c(Cl)c1.
What is the InChIKey of 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is LIARFYGIWNXLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3S/c16-8-1-3-10(11(18)5-8)15-20-19-14-7-22-13-6-9(17)2-4-12(13)21(14)15/h1-6H,7H2.
What are the key properties of 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 368.68 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 24847192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).