2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C11H15F3N2S — CID 175284783

IUPAC2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESNC1CCc2nc(CCCC(F)(F)F)sc2C1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)5-1-2-10-16-8-4-3-7(15)6-9(8)17-10/h7H,1-6,15H2
InChIKeyQUFWEERYHUHSHO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 175284783) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID175284783
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESNC1CCc2nc(CCCC(F)(F)F)sc2C1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)5-1-2-10-16-8-4-3-7(15)6-9(8)17-10/h7H,1-6,15H2
InChIKeyQUFWEERYHUHSHO-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 175284783) is 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is NC1CCc2nc(CCCC(F)(F)F)sc2C1.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is QUFWEERYHUHSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)5-1-2-10-16-8-4-3-7(15)6-9(8)17-10/h7H,1-6,15H2.
What are the key properties of 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 264.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 175284783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).