[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone

C17H19FN2OS — CID 24537550

IUPAC[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCCC1C
InChIInChI=1S/C17H19FN2OS/c1-11-5-3-4-10-20(11)17(21)15-12(2)19-16(22-15)13-6-8-14(18)9-7-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeyYQAPYSDLYMXXDZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.27
Rot. Bonds2

About [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone

[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 24537550) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID24537550
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCCC1C
InChIInChI=1S/C17H19FN2OS/c1-11-5-3-4-10-20(11)17(21)15-12(2)19-16(22-15)13-6-8-14(18)9-7-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeyYQAPYSDLYMXXDZ-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513208
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 51596746
(2R)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 39309690
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061147
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647471
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 96564131
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone (CID 24537550) is [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCCC1C.
What is the InChIKey of [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YQAPYSDLYMXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11-5-3-4-10-20(11)17(21)15-12(2)19-16(22-15)13-6-8-14(18)9-7-13/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24537550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).