1,4,5-trichloroindeno[2,1-d]thiazine

C11H4Cl3NS — CID 11781215

IUPAC1,4,5-trichloroindeno[2,1-d]thiazine
SMILESClc1nsc(Cl)c2c3ccccc3c(Cl)c1-2
InChIInChI=1S/C11H4Cl3NS/c12-9-6-4-2-1-3-5(6)7-8(9)10(13)15-16-11(7)14/h1-4H
InChIKeyUOXCNZKDKNBASC-UHFFFAOYSA-N
MW288.59 g/mol
LogP5.36
Rot. Bonds

About 1,4,5-trichloroindeno[2,1-d]thiazine

1,4,5-trichloroindeno[2,1-d]thiazine (PubChem CID 11781215) has the molecular formula C11H4Cl3NS and a molecular weight of 288.59 g/mol. Its IUPAC name is 1,4,5-trichloroindeno[2,1-d]thiazine.

Molecular Properties

Compound Name1,4,5-trichloroindeno[2,1-d]thiazine
PubChem CID11781215
Molecular FormulaC11H4Cl3NS
Molecular Weight288.59 g/mol
Exact Mass286.91
IUPAC Name1,4,5-trichloroindeno[2,1-d]thiazine
SMILESClc1nsc(Cl)c2c3ccccc3c(Cl)c1-2
InChIInChI=1S/C11H4Cl3NS/c12-9-6-4-2-1-3-5(6)7-8(9)10(13)15-16-11(7)14/h1-4H
InChIKeyUOXCNZKDKNBASC-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.59
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4,5-trichloroindeno[2,1-d]thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
CID 121219116
3-chloro-5-methyl-4-phenyl-1,2-thiazole
CID 57108416
4-chlorothieno[3,2-c]quinoline
CID 11701333
3,4-dichlorocinnoline
CID 14643415
1-(3,4-dichloro-1,2-thiazol-5-yl)-1-phenylbut-2-yn-1-ol
CID 174925751
(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol
CID 90418369
N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline
CID 166735111
2,1-benzothiazol-3-ylmethanol
CID 83678766
3-chloro-6-phenyl-1,2-benzothiazole
CID 129031299
3,5-dichloro-1,2-thiazole-4-carbonyl chloride
CID 54106162
1,4-dichloronaphthalen-2-ol
CID 12578005
9-chlorobenzo[f][1,2,3]benzodithiazol-4-one
CID 102094781

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trichloroindeno[2,1-d]thiazine?
The IUPAC name of 1,4,5-trichloroindeno[2,1-d]thiazine (CID 11781215) is 1,4,5-trichloroindeno[2,1-d]thiazine.
What is the SMILES notation for 1,4,5-trichloroindeno[2,1-d]thiazine?
The canonical SMILES for 1,4,5-trichloroindeno[2,1-d]thiazine is Clc1nsc(Cl)c2c3ccccc3c(Cl)c1-2.
What is the InChIKey of 1,4,5-trichloroindeno[2,1-d]thiazine?
The InChIKey is UOXCNZKDKNBASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3NS/c12-9-6-4-2-1-3-5(6)7-8(9)10(13)15-16-11(7)14/h1-4H.
What are the key properties of 1,4,5-trichloroindeno[2,1-d]thiazine?
1,4,5-trichloroindeno[2,1-d]thiazine has a molecular weight of 288.59 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trichloroindeno[2,1-d]thiazine is sourced from PubChem (CID 11781215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).