ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine

C11H15FN2S — CID 143324079

IUPACethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
SMILESCC.CCc1cc(F)c2nc(N)sc2c1
InChIInChI=1S/C9H9FN2S.C2H6/c1-2-5-3-6(10)8-7(4-5)13-9(11)12-8;1-2/h3-4H,2H2,1H3,(H2,11,12);1-2H3
InChIKeyKQBRAOWYRFTWTM-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.61
Rot. Bonds1

About ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine

ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine (PubChem CID 143324079) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
PubChem CID143324079
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Nameethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
SMILESCC.CCc1cc(F)c2nc(N)sc2c1
InChIInChI=1S/C9H9FN2S.C2H6/c1-2-5-3-6(10)8-7(4-5)13-9(11)12-8;1-2/h3-4H,2H2,1H3,(H2,11,12);1-2H3
InChIKeyKQBRAOWYRFTWTM-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
methane;methyl 2-amino-4-fluoro-1,3-benzothiazole-6-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 165009883
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
methyl 4-amino-3-fluorobenzoate;methyl 2-amino-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 161113745
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87417576
5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 170676628
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide
CID 145100828
(2S)-2-amino-3-(2-amino-4-sulfanyl-1,3-benzothiazol-6-yl)-2-methylpropanoic acid
CID 10356474
6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134416793
5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane
CID 143917595

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine (CID 143324079) is ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine is CC.CCc1cc(F)c2nc(N)sc2c1.
What is the InChIKey of ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is KQBRAOWYRFTWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S.C2H6/c1-2-5-3-6(10)8-7(4-5)13-9(11)12-8;1-2/h3-4H,2H2,1H3,(H2,11,12);1-2H3.
What are the key properties of ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine?
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 226.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143324079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).