4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one

C13H14FNO2S — CID 84615390

IUPAC4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)SCC(=O)N2CCF
InChIInChI=1S/C13H14FNO2S/c1-2-11(16)9-3-4-10-12(7-9)18-8-13(17)15(10)6-5-14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyWUXSOCQPWYIHKD-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.69
Rot. Bonds4

About 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one

4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one (PubChem CID 84615390) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
PubChem CID84615390
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)SCC(=O)N2CCF
InChIInChI=1S/C13H14FNO2S/c1-2-11(16)9-3-4-10-12(7-9)18-8-13(17)15(10)6-5-14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyWUXSOCQPWYIHKD-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615377
4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615410
2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
CID 84615429
7-acetyl-4-(3-oxobutyl)-1,4-benzothiazin-3-one
CID 84615326
7-acetyl-4-(2,3-dihydroxypropyl)-1,4-benzothiazin-3-one
CID 84615317
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277
2,2-dimethyl-7-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615413
7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one
CID 84615347
7-chloro-4-(6-hydroxyhexyl)-1,4-benzothiazin-3-one
CID 70311021
4-but-3-enyl-7-(1-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615367
7-amino-4-[2-(diethylamino)ethyl]-1,4-benzothiazin-3-one
CID 84615606
ethyl 3-oxo-4-pentyl-1,4-benzothiazine-6-carboxylate
CID 10757135

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
The IUPAC name of 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one (CID 84615390) is 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one is CCC(=O)c1ccc2c(c1)SCC(=O)N2CCF.
What is the InChIKey of 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
The InChIKey is WUXSOCQPWYIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-2-11(16)9-3-4-10-12(7-9)18-8-13(17)15(10)6-5-14/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one has a molecular weight of 267.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).