3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine

C15H15NS — CID 45104990

IUPAC3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine
SMILESCc1cccc(N2CSc3ccccc3C2)c1
InChIInChI=1S/C15H15NS/c1-12-5-4-7-14(9-12)16-10-13-6-2-3-8-15(13)17-11-16/h2-9H,10-11H2,1H3
InChIKeyOLDCMGFUEOMWJK-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.06
Rot. Bonds1

About 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine

3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine (PubChem CID 45104990) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine.

Molecular Properties

Compound Name3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine
PubChem CID45104990
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine
SMILESCc1cccc(N2CSc3ccccc3C2)c1
InChIInChI=1S/C15H15NS/c1-12-5-4-7-14(9-12)16-10-13-6-2-3-8-15(13)17-11-16/h2-9H,10-11H2,1H3
InChIKeyOLDCMGFUEOMWJK-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2,4-dihydro-1,3-benzothiazine
CID 21135400
N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 117006133
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
2-[2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112873821
2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol
CID 140969919
7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 129223538
2-(3-methylphenyl)-1H-phthalazine
CID 71560617
1-(3-methylphenyl)piperidine;propane
CID 143942273
methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane
CID 21135473
2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine
CID 71254489
3-(3-methylphenyl)-3,6-diazabicyclo[3.1.1]heptane
CID 84770848
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine?
The IUPAC name of 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine (CID 45104990) is 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine.
What is the SMILES notation for 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine?
The canonical SMILES for 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine is Cc1cccc(N2CSc3ccccc3C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine?
The InChIKey is OLDCMGFUEOMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-12-5-4-7-14(9-12)16-10-13-6-2-3-8-15(13)17-11-16/h2-9H,10-11H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine?
3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine has a molecular weight of 241.36 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine is sourced from PubChem (CID 45104990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).