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

C9H11NS — CID 13183653

IUPAC2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2ccccc2S1
InChIInChI=1S/C9H11NS/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,7,10H,6H2,1H3
InChIKeyQZSCUJZRZIIVBM-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.59
Rot. Bonds

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

2-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 13183653) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID13183653
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2ccccc2S1
InChIInChI=1S/C9H11NS/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,7,10H,6H2,1H3
InChIKeyQZSCUJZRZIIVBM-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 13183653) is 2-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-1,4-benzothiazine is CC1CNc2ccccc2S1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is QZSCUJZRZIIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
2-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 165.26 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 13183653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).