[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C17H19F3N2OS2 — CID 71801004

IUPAC[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C17H19F3N2OS2/c18-17(19,20)14-3-1-13(2-4-14)15(23)22-8-5-12(6-9-22)11-25-16-21-7-10-24-16/h1-4,12H,5-11H2
InChIKeyNSQSPHPXFSLLET-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.39
Rot. Bonds3

About [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 71801004) has the molecular formula C17H19F3N2OS2 and a molecular weight of 388.48 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID71801004
Molecular FormulaC17H19F3N2OS2
Molecular Weight388.48 g/mol
Exact Mass388.09
IUPAC Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C17H19F3N2OS2/c18-17(19,20)14-3-1-13(2-4-14)15(23)22-8-5-12(6-9-22)11-25-16-21-7-10-24-16/h1-4,12H,5-11H2
InChIKeyNSQSPHPXFSLLET-UHFFFAOYSA-N
XLogP4.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone 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

[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
[3-(2-chloroethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114801098
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919
1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile
CID 118766885
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl methanesulfonate
CID 87994851
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 71801004) is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(CSC2=NCCS2)CC1.
What is the InChIKey of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is NSQSPHPXFSLLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS2/c18-17(19,20)14-3-1-13(2-4-14)15(23)22-8-5-12(6-9-22)11-25-16-21-7-10-24-16/h1-4,12H,5-11H2.
What are the key properties of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 388.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71801004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).