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

C12H17F3N2OS — CID 62752988

IUPAC5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN(CC(F)(F)F)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C12H17F3N2OS/c1-11(2)4-7-9(8(18)5-11)19-10(16-7)17(3)6-12(13,14)15/h8,18H,4-6H2,1-3H3
InChIKeyJROQKYYOPBUGMB-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.15
Rot. Bonds2

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

5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62752988) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62752988
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCN(CC(F)(F)F)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C12H17F3N2OS/c1-11(2)4-7-9(8(18)5-11)19-10(16-7)17(3)6-12(13,14)15/h8,18H,4-6H2,1-3H3
InChIKeyJROQKYYOPBUGMB-UHFFFAOYSA-N
XLogP3.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 62752491
CID 62752491
CID 62752493
CID 62752493
CID 62752990
CID 62752990
CID 62752998
CID 62752998
CID 62753179
CID 62753179
CID 62753344
CID 62753344
CID 62753346
CID 62753346
CID 62753517
CID 62753517
CID 62969518
CID 62969518
CID 65532121
CID 65532121

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62752988) is 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CN(CC(F)(F)F)c1nc2c(s1)C(O)CC(C)(C)C2.
What is the InChIKey of 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is JROQKYYOPBUGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-11(2)4-7-9(8(18)5-11)19-10(16-7)17(3)6-12(13,14)15/h8,18H,4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 294.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62752988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).