6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one

C16H15FN2OS — CID 84615627

IUPAC6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(N)cc2N(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H15FN2OS/c1-10-16(20)19(9-11-4-2-3-5-13(11)17)14-8-12(18)6-7-15(14)21-10/h2-8,10H,9,18H2,1H3
InChIKeyOFVHKBXDJQUFKW-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.44
Rot. Bonds2

About 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one

6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one (PubChem CID 84615627) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
PubChem CID84615627
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(N)cc2N(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H15FN2OS/c1-10-16(20)19(9-11-4-2-3-5-13(11)17)14-8-12(18)6-7-15(14)21-10/h2-8,10H,9,18H2,1H3
InChIKeyOFVHKBXDJQUFKW-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-(3-aminopropyl)-2-methyl-1,4-benzothiazin-3-one
CID 115197127
6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115260501
4-[(2-methoxyphenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 126475650
6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 115259519
2-[(7-chloro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)methyl]benzonitrile
CID 126471649
2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579297
7-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzothiazin-3-one
CID 84615543
6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one
CID 84615633
3-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615540
2-ethyl-4-[(2-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 4278813
(2S)-2-[(2S)-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 92662043
6-amino-2-ethyl-4-(2-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615651

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one (CID 84615627) is 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one is CC1Sc2ccc(N)cc2N(Cc2ccccc2F)C1=O.
What is the InChIKey of 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is OFVHKBXDJQUFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10-16(20)19(9-11-4-2-3-5-13(11)17)14-8-12(18)6-7-15(14)21-10/h2-8,10H,9,18H2,1H3.
What are the key properties of 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one?
6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one has a molecular weight of 302.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).