N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C12H17F3N2S — CID 55032903

IUPACN,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21
InChIInChI=1S/C12H17F3N2S/c1-11(2)4-7(16-3)10-8(5-11)17-9(18-10)6-12(13,14)15/h7,16H,4-6H2,1-3H3
InChIKeyKUPQQGVCYRNUPR-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.48
Rot. Bonds2

About N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 55032903) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID55032903
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21
InChIInChI=1S/C12H17F3N2S/c1-11(2)4-7(16-3)10-8(5-11)17-9(18-10)6-12(13,14)15/h7,16H,4-6H2,1-3H3
InChIKeyKUPQQGVCYRNUPR-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 55032903) is N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21.
What is the InChIKey of N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is KUPQQGVCYRNUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-11(2)4-7(16-3)10-8(5-11)17-9(18-10)6-12(13,14)15/h7,16H,4-6H2,1-3H3.
What are the key properties of N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 278.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 55032903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).