6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine

C9H9FN2OS — CID 59282924

IUPAC6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OCCF)cc2s1
InChIInChI=1S/C9H9FN2OS/c10-3-4-13-6-1-2-7-8(5-6)14-9(11)12-7/h1-2,5H,3-4H2,(H2,11,12)
InChIKeyKUGLYZLBXUVXIW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.23
Rot. Bonds3

About 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine

6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine (PubChem CID 59282924) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
PubChem CID59282924
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OCCF)cc2s1
InChIInChI=1S/C9H9FN2OS/c10-3-4-13-6-1-2-7-8(5-6)14-9(11)12-7/h1-2,5H,3-4H2,(H2,11,12)
InChIKeyKUGLYZLBXUVXIW-UHFFFAOYSA-N
XLogP2.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
CID 158604119
CID 158604119
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821
4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline
CID 75238702
6-[(2-chloro-6-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 162117514
3-[[2-(aminomethyl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol;hydrochloride
CID 146458304
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
CID 87338006

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine (CID 59282924) is 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine is Nc1nc2ccc(OCCF)cc2s1.
What is the InChIKey of 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is KUGLYZLBXUVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c10-3-4-13-6-1-2-7-8(5-6)14-9(11)12-7/h1-2,5H,3-4H2,(H2,11,12).
What are the key properties of 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine?
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59282924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).