2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide

C23H24FN3O2S — CID 56552186

IUPAC2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C23H24FN3O2S/c24-20-4-2-1-3-19(20)23-26-21(15-30-23)22(29)25-13-16-5-7-17(8-6-16)14-27-11-9-18(28)10-12-27/h1-8,15,18,28H,9-14H2,(H,25,29)
InChIKeyFWYAONSEUYMYNQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56552186) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID56552186
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C23H24FN3O2S/c24-20-4-2-1-3-19(20)23-26-21(15-30-23)22(29)25-13-16-5-7-17(8-6-16)14-27-11-9-18(28)10-12-27/h1-8,15,18,28H,9-14H2,(H,25,29)
InChIKeyFWYAONSEUYMYNQ-UHFFFAOYSA-N
XLogP3.84
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 56552203
5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 56554888
2-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56551918
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
N-benzyl-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 46162321
1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 55841366
4-fluoro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 56552267
5-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 56552143
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-[4-[(4-carboxypiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160284

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 56552186) is 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FWYAONSEUYMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-20-4-2-1-3-19(20)23-26-21(15-30-23)22(29)25-13-16-5-7-17(8-6-16)14-27-11-9-18(28)10-12-27/h1-8,15,18,28H,9-14H2,(H,25,29).
What are the key properties of 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56552186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).