N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine

C9H8F2N2S — CID 79098958

IUPACN-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)CNc1nc2ccccc2s1
InChIInChI=1S/C9H8F2N2S/c10-8(11)5-12-9-13-6-3-1-2-4-7(6)14-9/h1-4,8H,5H2,(H,12,13)
InChIKeyITWSTHZJBQURQW-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.97
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine

N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine (PubChem CID 79098958) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
PubChem CID79098958
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC NameN-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)CNc1nc2ccccc2s1
InChIInChI=1S/C9H8F2N2S/c10-8(11)5-12-9-13-6-3-1-2-4-7(6)14-9/h1-4,8H,5H2,(H,12,13)
InChIKeyITWSTHZJBQURQW-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
CID 113237740
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
CID 60874725
2-[(1,3-benzothiazol-2-ylamino)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 51114800
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
3-(1,3-benzothiazol-2-ylamino)propane-1-thiol
CID 101455251
N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine (CID 79098958) is N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine is FC(F)CNc1nc2ccccc2s1.
What is the InChIKey of N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine?
The InChIKey is ITWSTHZJBQURQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c10-8(11)5-12-9-13-6-3-1-2-4-7(6)14-9/h1-4,8H,5H2,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine?
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine has a molecular weight of 214.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79098958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).