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

C18H21F3N2OS — CID 118792778

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCc1nc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cs1
InChIInChI=1S/C18H21F3N2OS/c1-2-16-22-15(12-25-16)11-23-8-6-17(24,7-9-23)13-4-3-5-14(10-13)18(19,20)21/h3-5,10,12,24H,2,6-9,11H2,1H3
InChIKeyWWZRGUJIDOIUCE-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.21
Rot. Bonds4

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

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 118792778) has the molecular formula C18H21F3N2OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID118792778
Molecular FormulaC18H21F3N2OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCc1nc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cs1
InChIInChI=1S/C18H21F3N2OS/c1-2-16-22-15(12-25-16)11-23-8-6-17(24,7-9-23)13-4-3-5-14(10-13)18(19,20)21/h3-5,10,12,24H,2,6-9,11H2,1H3
InChIKeyWWZRGUJIDOIUCE-UHFFFAOYSA-N
XLogP4.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 118792778) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is CCc1nc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is WWZRGUJIDOIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2OS/c1-2-16-22-15(12-25-16)11-23-8-6-17(24,7-9-23)13-4-3-5-14(10-13)18(19,20)21/h3-5,10,12,24H,2,6-9,11H2,1H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 370.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 118792778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).