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

C15H18FNO2S — CID 84615429

IUPAC2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)SC(CC)C(=O)N2CCF
InChIInChI=1S/C15H18FNO2S/c1-3-12(18)10-5-6-11-14(9-10)20-13(4-2)15(19)17(11)8-7-16/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyAARUWOWDNVMPGI-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.47
Rot. Bonds5

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

2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one (PubChem CID 84615429) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
PubChem CID84615429
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)SC(CC)C(=O)N2CCF
InChIInChI=1S/C15H18FNO2S/c1-3-12(18)10-5-6-11-14(9-10)20-13(4-2)15(19)17(11)8-7-16/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyAARUWOWDNVMPGI-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615410
2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one
CID 84615094
2-ethyl-4-methyl-6-propanoyl-1,4-benzothiazin-3-one
CID 84615087
4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
CID 84615390
7-acetyl-4-but-3-enyl-2-ethyl-1,4-benzothiazin-3-one
CID 84615176
2-methyl-7-propanoyl-4-prop-2-enyl-1,4-benzothiazin-3-one
CID 84615397
2,2-dimethyl-7-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615413
7-acetyl-2-methyl-4-propyl-1,4-benzothiazin-3-one
CID 84615205
4-ethyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615377
6-amino-2-ethyl-4-(2-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615651
2,2-dimethyl-6-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615023
4-(2-hydroxyethyl)-2,2-dimethyl-6-propanoyl-1,4-benzothiazin-3-one
CID 84615034

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
The IUPAC name of 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one (CID 84615429) is 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
The canonical SMILES for 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one is CCC(=O)c1ccc2c(c1)SC(CC)C(=O)N2CCF.
What is the InChIKey of 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
The InChIKey is AARUWOWDNVMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-3-12(18)10-5-6-11-14(9-10)20-13(4-2)15(19)17(11)8-7-16/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one?
2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one has a molecular weight of 295.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).