1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine

C11H10FN3S — CID 82020576

IUPAC1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine
SMILESCC(N)c1cn2c(n1)sc1cc(F)ccc12
InChIInChI=1S/C11H10FN3S/c1-6(13)8-5-15-9-3-2-7(12)4-10(9)16-11(15)14-8/h2-6H,13H2,1H3
InChIKeyVQCNDCZSCOFHHT-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.71
Rot. Bonds1

About 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine

1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine (PubChem CID 82020576) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine
PubChem CID82020576
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine
SMILESCC(N)c1cn2c(n1)sc1cc(F)ccc12
InChIInChI=1S/C11H10FN3S/c1-6(13)8-5-15-9-3-2-7(12)4-10(9)16-11(15)14-8/h2-6H,13H2,1H3
InChIKeyVQCNDCZSCOFHHT-UHFFFAOYSA-N
XLogP2.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82019098
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583
6-bromo-3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 1119398
N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523757
(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
CID 21256466
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 137320011
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
1-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-iodopropan-1-one
CID 134578152
1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethanamine
CID 68555475
(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110488584
1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
CID 114419303

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine?
The IUPAC name of 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine (CID 82020576) is 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine?
The canonical SMILES for 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine is CC(N)c1cn2c(n1)sc1cc(F)ccc12.
What is the InChIKey of 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine?
The InChIKey is VQCNDCZSCOFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S/c1-6(13)8-5-15-9-3-2-7(12)4-10(9)16-11(15)14-8/h2-6H,13H2,1H3.
What are the key properties of 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine?
1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 82020576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).