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

C15H9Cl2N3S — CID 24847191

IUPAC7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccc(Cl)cc2SC3)cc1
InChIInChI=1S/C15H9Cl2N3S/c16-10-3-1-9(2-4-10)15-19-18-14-8-21-13-7-11(17)5-6-12(13)20(14)15/h1-7H,8H2
InChIKeyMADUJWCZJZWRCG-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.85
Rot. Bonds1

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

7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 24847191) has the molecular formula C15H9Cl2N3S and a molecular weight of 334.23 g/mol. Its IUPAC name is 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID24847191
Molecular FormulaC15H9Cl2N3S
Molecular Weight334.23 g/mol
Exact Mass332.99
IUPAC Name7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESClc1ccc(-c2nnc3n2-c2ccc(Cl)cc2SC3)cc1
InChIInChI=1S/C15H9Cl2N3S/c16-10-3-1-9(2-4-10)15-19-18-14-8-21-13-7-11(17)5-6-12(13)20(14)15/h1-7H,8H2
InChIKeyMADUJWCZJZWRCG-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-(4-chlorophenyl)-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
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 7-chloro-1-((4-methyl-1-piperazinyl)methyl)-
CID 3066388
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-(2,4-dichlorophenyl)-
CID 24847192
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 24847191) is 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Clc1ccc(-c2nnc3n2-c2ccc(Cl)cc2SC3)cc1.
What is the InChIKey of 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is MADUJWCZJZWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3S/c16-10-3-1-9(2-4-10)15-19-18-14-8-21-13-7-11(17)5-6-12(13)20(14)15/h1-7H,8H2.
What are the key properties of 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 334.23 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 24847191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).