1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone

C18H19FN2O3S — CID 134408498

IUPAC1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone
SMILESCC(=O)C1CCC(O)CN1C(=O)c1nc(C)sc1-c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c1-10(22)15-7-6-14(23)9-21(15)18(24)16-17(25-11(2)20-16)12-4-3-5-13(19)8-12/h3-5,8,14-15,23H,6-7,9H2,1-2H3
InChIKeyKXCMAHVDOPUILF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone

1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone (PubChem CID 134408498) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone
PubChem CID134408498
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone
SMILESCC(=O)C1CCC(O)CN1C(=O)c1nc(C)sc1-c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c1-10(22)15-7-6-14(23)9-21(15)18(24)16-17(25-11(2)20-16)12-4-3-5-13(19)8-12/h3-5,8,14-15,23H,6-7,9H2,1-2H3
InChIKeyKXCMAHVDOPUILF-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 67411156
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68632496
tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate
CID 67018260
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67081101
N-[[(3S,3aS,6aR)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154461
[2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 23146391
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2R)-1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]acetate
CID 69112413
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 68634700
3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
CID 67479307
[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68607371
[(5S)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68650119
[(1S,2R,5S)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68650121

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone (CID 134408498) is 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone is CC(=O)C1CCC(O)CN1C(=O)c1nc(C)sc1-c1cccc(F)c1.
What is the InChIKey of 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone?
The InChIKey is KXCMAHVDOPUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-10(22)15-7-6-14(23)9-21(15)18(24)16-17(25-11(2)20-16)12-4-3-5-13(19)8-12/h3-5,8,14-15,23H,6-7,9H2,1-2H3.
What are the key properties of 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone?
1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone is sourced from PubChem (CID 134408498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).