6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one

C12H15FN2OS — CID 84615664

IUPAC6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one
SMILESCCC1Sc2ccc(N)cc2N(CCF)C1=O
InChIInChI=1S/C12H15FN2OS/c1-2-10-12(16)15(6-5-13)9-7-8(14)3-4-11(9)17-10/h3-4,7,10H,2,5-6,14H2,1H3
InChIKeyAHTNBBKZDDGGLK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.46
Rot. Bonds3

About 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one

6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one (PubChem CID 84615664) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one
PubChem CID84615664
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one
SMILESCCC1Sc2ccc(N)cc2N(CCF)C1=O
InChIInChI=1S/C12H15FN2OS/c1-2-10-12(16)15(6-5-13)9-7-8(14)3-4-11(9)17-10/h3-4,7,10H,2,5-6,14H2,1H3
InChIKeyAHTNBBKZDDGGLK-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one (CID 84615664) is 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one is CCC1Sc2ccc(N)cc2N(CCF)C1=O.
What is the InChIKey of 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one?
The InChIKey is AHTNBBKZDDGGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-2-10-12(16)15(6-5-13)9-7-8(14)3-4-11(9)17-10/h3-4,7,10H,2,5-6,14H2,1H3.
What are the key properties of 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one?
6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one has a molecular weight of 254.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).