[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C17H18F2N2OS — CID 58924835

IUPAC[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2csc(-c3ccc(F)cc3F)n2)C1
InChIInChI=1S/C17H18F2N2OS/c1-10-5-11(2)8-21(7-10)17(22)15-9-23-16(20-15)13-4-3-12(18)6-14(13)19/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyBSAHZURHKPTVLG-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.21
Rot. Bonds2

About [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 58924835) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID58924835
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2csc(-c3ccc(F)cc3F)n2)C1
InChIInChI=1S/C17H18F2N2OS/c1-10-5-11(2)8-21(7-10)17(22)15-9-23-16(20-15)13-4-3-12(18)6-14(13)19/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyBSAHZURHKPTVLG-UHFFFAOYSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 43016811
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120656890
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 112836686
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 58924835) is [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2csc(-c3ccc(F)cc3F)n2)C1.
What is the InChIKey of [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is BSAHZURHKPTVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c1-10-5-11(2)8-21(7-10)17(22)15-9-23-16(20-15)13-4-3-12(18)6-14(13)19/h3-4,6,9-11H,5,7-8H2,1-2H3.
What are the key properties of [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 336.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 58924835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).