N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

C22H22ClN3O2S — CID 86974494

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C22H22ClN3O2S/c23-17-3-1-2-15(12-17)13-20-14-24-22(29-20)25-21(28)16-4-6-18(7-5-16)26-10-8-19(27)9-11-26/h1-7,12,14,19,27H,8-11,13H2,(H,24,25,28)
InChIKeySBVAEFJIOQSUPU-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.60
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 86974494) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID86974494
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C22H22ClN3O2S/c23-17-3-1-2-15(12-17)13-20-14-24-22(29-20)25-21(28)16-4-6-18(7-5-16)26-10-8-19(27)9-11-26/h1-7,12,14,19,27H,8-11,13H2,(H,24,25,28)
InChIKeySBVAEFJIOQSUPU-UHFFFAOYSA-N
XLogP4.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33202259
tert-butyl 4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46525028
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51336428
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2239669
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55495860
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 42353684
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 42353144

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 86974494) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is SBVAEFJIOQSUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-17-3-1-2-15(12-17)13-20-14-24-22(29-20)25-21(28)16-4-6-18(7-5-16)26-10-8-19(27)9-11-26/h1-7,12,14,19,27H,8-11,13H2,(H,24,25,28).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 427.96 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 86974494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).