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

C13H19F3N2OS — CID 62753344

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCN(CC(F)(F)F)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C13H19F3N2OS/c1-4-18(7-13(14,15)16)11-17-8-5-12(2,3)6-9(19)10(8)20-11/h9,19H,4-7H2,1-3H3
InChIKeyIRNWPBYBEVGFEV-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.54
Rot. Bonds3

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

2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62753344) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62753344
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCCN(CC(F)(F)F)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C13H19F3N2OS/c1-4-18(7-13(14,15)16)11-17-8-5-12(2,3)6-9(19)10(8)20-11/h9,19H,4-7H2,1-3H3
InChIKeyIRNWPBYBEVGFEV-UHFFFAOYSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55112081
5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62090801
5,5-dimethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752491
2-[Propyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62752493
5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752988
2-[Methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62752990
5,5-dimethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752998
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753179
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753346
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753517
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62969518
5,5-dimethyl-2-[methyl(3,3,3-trifluoropropyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65532121

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62753344) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CCN(CC(F)(F)F)c1nc2c(s1)C(O)CC(C)(C)C2.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is IRNWPBYBEVGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-4-18(7-13(14,15)16)11-17-8-5-12(2,3)6-9(19)10(8)20-11/h9,19H,4-7H2,1-3H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 308.37 g/mol, XLogP of 3.54, 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]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).