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

C11H15F3N2S — CID 62091143

IUPAC5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(CC(F)(F)F)sc2C(N)C1
InChIInChI=1S/C11H15F3N2S/c1-10(2)3-6(15)9-7(4-10)16-8(17-9)5-11(12,13)14/h6H,3-5,15H2,1-2H3
InChIKeyORVZFFMKTLGCCQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.22
Rot. Bonds1

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

5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62091143) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62091143
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(CC(F)(F)F)sc2C(N)C1
InChIInChI=1S/C11H15F3N2S/c1-10(2)3-6(15)9-7(4-10)16-8(17-9)5-11(12,13)14/h6H,3-5,15H2,1-2H3
InChIKeyORVZFFMKTLGCCQ-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62091143) is 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(CC(F)(F)F)sc2C(N)C1.
What is the InChIKey of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is ORVZFFMKTLGCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-10(2)3-6(15)9-7(4-10)16-8(17-9)5-11(12,13)14/h6H,3-5,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 264.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62091143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).