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

C10H13F3N2OS — CID 62752990

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(CC(F)(F)F)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C10H13F3N2OS/c1-15(5-10(11,12)13)9-14-6-3-2-4-7(16)8(6)17-9/h7,16H,2-5H2,1H3
InChIKeyWSJLUAWKSMZTHY-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.51
Rot. Bonds2

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

2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62752990) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62752990
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(CC(F)(F)F)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C10H13F3N2OS/c1-15(5-10(11,12)13)9-14-6-3-2-4-7(16)8(6)17-9/h7,16H,2-5H2,1H3
InChIKeyWSJLUAWKSMZTHY-UHFFFAOYSA-N
XLogP2.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-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
[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117430
2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62089195
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
1-[4-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752987
5,5-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752988
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
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753180
2-[ethyl(2,2,2-trifluoroethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753344
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753346

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62752990) is 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CN(CC(F)(F)F)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is WSJLUAWKSMZTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-15(5-10(11,12)13)9-14-6-3-2-4-7(16)8(6)17-9/h7,16H,2-5H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 266.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62752990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).