2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C11H15F3N2OS — CID 62753346

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN(CC(F)(F)F)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C11H15F3N2OS/c1-2-16(6-11(12,13)14)10-15-7-4-3-5-8(17)9(7)18-10/h8,17H,2-6H2,1H3
InChIKeyGVFQCWOPNYLGIK-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.90
Rot. Bonds3

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62753346) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62753346
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN(CC(F)(F)F)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C11H15F3N2OS/c1-2-16(6-11(12,13)14)10-15-7-4-3-5-8(17)9(7)18-10/h8,17H,2-6H2,1H3
InChIKeyGVFQCWOPNYLGIK-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62753346) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCN(CC(F)(F)F)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is GVFQCWOPNYLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-2-16(6-11(12,13)14)10-15-7-4-3-5-8(17)9(7)18-10/h8,17H,2-6H2,1H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 280.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).