1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone

C18H21FN2OS2 — CID 112778383

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H21FN2OS2/c1-12-4-3-5-13(2)21(12)17(22)11-24-18-20-16(10-23-18)14-6-8-15(19)9-7-14/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyMLZZHVLRULBIGM-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.83
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone (PubChem CID 112778383) has the molecular formula C18H21FN2OS2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
PubChem CID112778383
Molecular FormulaC18H21FN2OS2
Molecular Weight364.51 g/mol
Exact Mass364.11
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H21FN2OS2/c1-12-4-3-5-13(2)21(12)17(22)11-24-18-20-16(10-23-18)14-6-8-15(19)9-7-14/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyMLZZHVLRULBIGM-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone with MolForge

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 112783039
ethyl 1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 112778360
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 859563
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 859562
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7989648
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 112810678
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 112795271
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591188
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone
CID 2483989

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone (CID 112778383) is 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone is CC1CCCC(C)N1C(=O)CSc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone?
The InChIKey is MLZZHVLRULBIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS2/c1-12-4-3-5-13(2)21(12)17(22)11-24-18-20-16(10-23-18)14-6-8-15(19)9-7-14/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone has a molecular weight of 364.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 112778383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).