2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol

C20H19F3N2OS — CID 67275277

IUPAC2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1cccc2sc(N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)nc12
InChIInChI=1S/C20H19F3N2OS/c21-20(22,23)15-6-4-13(5-7-15)12-14-8-10-25(11-9-14)19-24-18-16(26)2-1-3-17(18)27-19/h1-7,14,26H,8-12H2
InChIKeySUMJKWCSRWDDMT-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.48
Rot. Bonds3

About 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol

2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 67275277) has the molecular formula C20H19F3N2OS and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID67275277
Molecular FormulaC20H19F3N2OS
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESOc1cccc2sc(N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)nc12
InChIInChI=1S/C20H19F3N2OS/c21-20(22,23)15-6-4-13(5-7-15)12-14-8-10-25(11-9-14)19-24-18-16(26)2-1-3-17(18)27-19/h1-7,14,26H,8-12H2
InChIKeySUMJKWCSRWDDMT-UHFFFAOYSA-N
XLogP5.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67274624
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
CID 174498305
2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 37101288
2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133342919
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 121108415
4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275712
1,1,3-trimethyl-3-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]urea
CID 166603782
(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 24720417
4-ethyl-2-[3-(fluoromethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 163348320
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121109364

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol (CID 67275277) is 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol is Oc1cccc2sc(N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)nc12.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is SUMJKWCSRWDDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2OS/c21-20(22,23)15-6-4-13(5-7-15)12-14-8-10-25(11-9-14)19-24-18-16(26)2-1-3-17(18)27-19/h1-7,14,26H,8-12H2.
What are the key properties of 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol?
2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol has a molecular weight of 392.45 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 67275277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).