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

C15H15NS — CID 134916126

IUPAC2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1Sc2ccccc2NC1c1ccccc1
InChIInChI=1S/C15H15NS/c1-11-15(12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)17-11/h2-11,15-16H,1H3
InChIKeyFXDKFCQPWUVSJS-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.33
Rot. Bonds1

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

2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 134916126) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID134916126
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1Sc2ccccc2NC1c1ccccc1
InChIInChI=1S/C15H15NS/c1-11-15(12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)17-11/h2-11,15-16H,1H3
InChIKeyFXDKFCQPWUVSJS-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine (CID 134916126) is 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine is CC1Sc2ccccc2NC1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is FXDKFCQPWUVSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-11-15(12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)17-11/h2-11,15-16H,1H3.
What are the key properties of 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 241.36 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 134916126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).