6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine

C9H10FNS — CID 84618553

IUPAC6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2ccc(F)cc21
InChIInChI=1S/C9H10FNS/c1-11-4-5-12-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyJSMLFOYJLKTIGW-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.37
Rot. Bonds

About 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine

6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84618553) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84618553
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2ccc(F)cc21
InChIInChI=1S/C9H10FNS/c1-11-4-5-12-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyJSMLFOYJLKTIGW-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-2,3-dihydro-1,4-benzothiazine
CID 142222955
3-(6-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)propanoic acid
CID 84630016
2-(6-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84629970
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876365
6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
CID 166553115
2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84625093
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,4-diazepane
CID 22448543
4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 62197019
1,3-dithiolan-2-yl-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 122133504

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine (CID 84618553) is 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine is CN1CCSc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is JSMLFOYJLKTIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNS/c1-11-4-5-12-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine?
6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 183.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84618553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).