4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine

C11H15NS — CID 84619216

IUPAC4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCc1ccc(C)c2c1SCCN2C
InChIInChI=1S/C11H15NS/c1-8-4-5-9(2)11-10(8)12(3)6-7-13-11/h4-5H,6-7H2,1-3H3
InChIKeyWITCUYHOTCTSOX-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.85
Rot. Bonds

About 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine

4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84619216) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84619216
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCc1ccc(C)c2c1SCCN2C
InChIInChI=1S/C11H15NS/c1-8-4-5-9(2)11-10(8)12(3)6-7-13-11/h4-5H,6-7H2,1-3H3
InChIKeyWITCUYHOTCTSOX-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,8-trimethyl-2,3-dihydro-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 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine (CID 84619216) is 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine is Cc1ccc(C)c2c1SCCN2C.
What is the InChIKey of 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is WITCUYHOTCTSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-4-5-9(2)11-10(8)12(3)6-7-13-11/h4-5H,6-7H2,1-3H3.
What are the key properties of 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine?
4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 193.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84619216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).