N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine

C14H9FN2O2S — CID 43306395

IUPACN-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C14H9FN2O2S/c15-8-1-4-13-10(5-8)17-14(20-13)16-9-2-3-11-12(6-9)19-7-18-11/h1-6H,7H2,(H,16,17)
InChIKeyGFAZUPMLXRIFRP-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.91
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine

N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43306395) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID43306395
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3ccc4c(c3)OCO4)nc2c1
InChIInChI=1S/C14H9FN2O2S/c15-8-1-4-13-10(5-8)17-14(20-13)16-9-2-3-11-12(6-9)19-7-18-11/h1-6H,7H2,(H,16,17)
InChIKeyGFAZUPMLXRIFRP-UHFFFAOYSA-N
XLogP3.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968771
N-(1,3-benzodioxol-5-yl)-4-methylsulfanyl-1,3-benzothiazol-2-amine
CID 43969103
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzothiazol-2-amine
CID 28832815
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968835
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306953
3-[(5-fluoro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 43306836
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
6-N-(1,3-benzodioxol-5-yl)-4-N-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine
CID 23480612
1,3-benzodioxol-5-yl-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 11964460
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82480840

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine (CID 43306395) is N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2sc(Nc3ccc4c(c3)OCO4)nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is GFAZUPMLXRIFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-8-1-4-13-10(5-8)17-14(20-13)16-9-2-3-11-12(6-9)19-7-18-11/h1-6H,7H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 288.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).