4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one

C16H15NOS — CID 774117

IUPAC4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
SMILESCc1ccc(CN2C(=O)CSc3ccccc32)cc1
InChIInChI=1S/C16H15NOS/c1-12-6-8-13(9-7-12)10-17-14-4-2-3-5-15(14)19-11-16(17)18/h2-9H,10-11H2,1H3
InChIKeyALCHRTOGPMKHIB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.63
Rot. Bonds2

About 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one

4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one (PubChem CID 774117) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
PubChem CID774117
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
SMILESCc1ccc(CN2C(=O)CSc3ccccc32)cc1
InChIInChI=1S/C16H15NOS/c1-12-6-8-13(9-7-12)10-17-14-4-2-3-5-15(14)19-11-16(17)18/h2-9H,10-11H2,1H3
InChIKeyALCHRTOGPMKHIB-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031
4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one
CID 129255478
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-benzothiazin-3-one
CID 72930321
[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673538
1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92667887
4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one
CID 72892833
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
CID 53213308
4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4693483
3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
CID 4004507

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one (CID 774117) is 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one is Cc1ccc(CN2C(=O)CSc3ccccc32)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The InChIKey is ALCHRTOGPMKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12-6-8-13(9-7-12)10-17-14-4-2-3-5-15(14)19-11-16(17)18/h2-9H,10-11H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one?
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one has a molecular weight of 269.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 774117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).