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

C14H16FNO2S — CID 84615410

IUPAC4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)SC(C)C(=O)N2CCF
InChIInChI=1S/C14H16FNO2S/c1-3-12(17)10-4-5-11-13(8-10)19-9(2)14(18)16(11)7-6-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyZODQHAKNSXRVEF-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.08
Rot. Bonds4

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

4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one (PubChem CID 84615410) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one
PubChem CID84615410
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)SC(C)C(=O)N2CCF
InChIInChI=1S/C14H16FNO2S/c1-3-12(17)10-4-5-11-13(8-10)19-9(2)14(18)16(11)7-6-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyZODQHAKNSXRVEF-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoroethyl)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one?
The IUPAC name of 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one (CID 84615410) is 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one is CCC(=O)c1ccc2c(c1)SC(C)C(=O)N2CCF.
What is the InChIKey of 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one?
The InChIKey is ZODQHAKNSXRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-3-12(17)10-4-5-11-13(8-10)19-9(2)14(18)16(11)7-6-15/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one?
4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one has a molecular weight of 281.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).