2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine

C10H13FN2S — CID 84621697

IUPAC2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESNCCN1CCSc2cccc(F)c21
InChIInChI=1S/C10H13FN2S/c11-8-2-1-3-9-10(8)13(5-4-12)6-7-14-9/h1-3H,4-7,12H2
InChIKeyAORSDDNIWVUJFB-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.70
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine

2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (PubChem CID 84621697) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
PubChem CID84621697
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESNCCN1CCSc2cccc(F)c21
InChIInChI=1S/C10H13FN2S/c11-8-2-1-3-9-10(8)13(5-4-12)6-7-14-9/h1-3H,4-7,12H2
InChIKeyAORSDDNIWVUJFB-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84633958
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
3-(2-aminoethyl)-1,3-thiazolidin-2-one
CID 82502518
2-(5-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetonitrile
CID 84624107
3-amino-1-(5-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84644601
1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine
CID 84639629
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61495698
(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
CID 82505256
3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
CID 84624242
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
1-(2-aminoethyl)-7-fluoroindole-2,3-dione
CID 84621035

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (CID 84621697) is 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is NCCN1CCSc2cccc(F)c21.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The InChIKey is AORSDDNIWVUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-8-2-1-3-9-10(8)13(5-4-12)6-7-14-9/h1-3H,4-7,12H2.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine has a molecular weight of 212.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is sourced from PubChem (CID 84621697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).