N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C11H15F3N2OS — CID 103476034

IUPACN-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(COCC(F)(F)F)sc21
InChIInChI=1S/C11H15F3N2OS/c1-15-7-3-2-4-8-10(7)18-9(16-8)5-17-6-11(12,13)14/h7,15H,2-6H2,1H3
InChIKeyWBCAMTKAIRSYGS-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 103476034) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID103476034
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(COCC(F)(F)F)sc21
InChIInChI=1S/C11H15F3N2OS/c1-15-7-3-2-4-8-10(7)18-9(16-8)5-17-6-11(12,13)14/h7,15H,2-6H2,1H3
InChIKeyWBCAMTKAIRSYGS-UHFFFAOYSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 103476034) is N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(COCC(F)(F)F)sc21.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WBCAMTKAIRSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-15-7-3-2-4-8-10(7)18-9(16-8)5-17-6-11(12,13)14/h7,15H,2-6H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 280.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 103476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).