6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine

C9H10ClNS — CID 84619645

IUPAC6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(Cl)ccc2S1
InChIInChI=1S/C9H10ClNS/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyNGXNXUGIFPKVAU-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.25
Rot. Bonds

About 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine

6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84619645) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84619645
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(Cl)ccc2S1
InChIInChI=1S/C9H10ClNS/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyNGXNXUGIFPKVAU-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84619645) is 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine is CC1CNc2cc(Cl)ccc2S1.
What is the InChIKey of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is NGXNXUGIFPKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3.
What are the key properties of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 199.71 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84619645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).