5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

C13H15F3N2S — CID 170676628

IUPAC5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCCc1c(C(F)(F)F)cc2sc(N)nc2c1C(C)C
InChIInChI=1S/C13H15F3N2S/c1-4-7-8(13(14,15)16)5-9-11(10(7)6(2)3)18-12(17)19-9/h5-6H,4H2,1-3H3,(H2,17,18)
InChIKeyHAZAKWINXUDGET-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.58
Rot. Bonds2

About 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 170676628) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID170676628
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCCc1c(C(F)(F)F)cc2sc(N)nc2c1C(C)C
InChIInChI=1S/C13H15F3N2S/c1-4-7-8(13(14,15)16)5-9-11(10(7)6(2)3)18-12(17)19-9/h5-6H,4H2,1-3H3,(H2,17,18)
InChIKeyHAZAKWINXUDGET-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 170676483
4-[(E)-hept-3-en-4-yl]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 171074242
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
CID 143324079
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87417576
4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol
CID 134180669
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134416793
6-tert-butyl-5-propan-2-yl-1,3-benzothiazol-2-amine
CID 22975278

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 170676628) is 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is CCc1c(C(F)(F)F)cc2sc(N)nc2c1C(C)C.
What is the InChIKey of 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is HAZAKWINXUDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-4-7-8(13(14,15)16)5-9-11(10(7)6(2)3)18-12(17)19-9/h5-6H,4H2,1-3H3,(H2,17,18).
What are the key properties of 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 288.34 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170676628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).