2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

C11H13F3N2OS — CID 55113992

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCN(CC(F)(F)F)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C11H13F3N2OS/c1-2-16(6-11(12,13)14)10-15-7-4-3-5-8(17)9(7)18-10/h2-6H2,1H3
InChIKeyQSNCUAOGOKXBJM-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.05
Rot. Bonds3

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 55113992) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID55113992
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCN(CC(F)(F)F)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C11H13F3N2OS/c1-2-16(6-11(12,13)14)10-15-7-4-3-5-8(17)9(7)18-10/h2-6H2,1H3
InChIKeyQSNCUAOGOKXBJM-UHFFFAOYSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 55113992) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CCN(CC(F)(F)F)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is QSNCUAOGOKXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-2-16(6-11(12,13)14)10-15-7-4-3-5-8(17)9(7)18-10/h2-6H2,1H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 278.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 55113992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).