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

C9H8F2N2OS — CID 89211366

IUPAC6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
SMILESCC(F)(F)Oc1ccc2nc(N)sc2c1
InChIInChI=1S/C9H8F2N2OS/c1-9(10,11)14-5-2-3-6-7(4-5)15-8(12)13-6/h2-4H,1H3,(H2,12,13)
InChIKeyKTFPYAZIFRXTNQ-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.87
Rot. Bonds2

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

6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine (PubChem CID 89211366) has the molecular formula C9H8F2N2OS and a molecular weight of 230.24 g/mol. Its IUPAC name is 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
PubChem CID89211366
Molecular FormulaC9H8F2N2OS
Molecular Weight230.24 g/mol
Exact Mass230.03
IUPAC Name6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
SMILESCC(F)(F)Oc1ccc2nc(N)sc2c1
InChIInChI=1S/C9H8F2N2OS/c1-9(10,11)14-5-2-3-6-7(4-5)15-8(12)13-6/h2-4H,1H3,(H2,12,13)
InChIKeyKTFPYAZIFRXTNQ-UHFFFAOYSA-N
XLogP2.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
CID 158604119
CID 158604119
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 134241624
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821
6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 2735964
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine (CID 89211366) is 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine is CC(F)(F)Oc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is KTFPYAZIFRXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2OS/c1-9(10,11)14-5-2-3-6-7(4-5)15-8(12)13-6/h2-4H,1H3,(H2,12,13).
What are the key properties of 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine?
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 230.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89211366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).