4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

C23H24ClN3O3S — CID 59486852

IUPAC4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-26(29)23(28)27-13-11-17(12-14-27)22-25-20(15-5-9-19(30-2)10-6-15)21(31-22)16-3-7-18(24)8-4-16/h3-10,17,29H,11-14H2,1-2H3
InChIKeyYHQPFFIEAAJIJV-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.76
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 59486852) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID59486852
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-26(29)23(28)27-13-11-17(12-14-27)22-25-20(15-5-9-19(30-2)10-6-15)21(31-22)16-3-7-18(24)8-4-16/h3-10,17,29H,11-14H2,1-2H3
InChIKeyYHQPFFIEAAJIJV-UHFFFAOYSA-N
XLogP5.76
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031755
4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486965
1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 23908185
4-(4-chlorophenyl)-5-(4-methylphenyl)-2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazole
CID 3749083
N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 59486528
methyl 4-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-4-carboxylate
CID 89031788
[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3805941
ethyl 4-[4-(4-methoxyphenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15602828
4-[2-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 3684508
[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[5-(2-phenylethynyl)-3-pyridinyl]methanone
CID 4658164
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
CID 59486783
4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 145464423

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (CID 59486852) is 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is COc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)sc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is YHQPFFIEAAJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-26(29)23(28)27-13-11-17(12-14-27)22-25-20(15-5-9-19(30-2)10-6-15)21(31-22)16-3-7-18(24)8-4-16/h3-10,17,29H,11-14H2,1-2H3.
What are the key properties of 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59486852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).