N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C24H25N3O3S — CID 112804151

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-2-30-20-10-8-18(9-11-20)24(29)27-14-12-19(13-15-27)25-22(28)21-16-31-23(26-21)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3,(H,25,28)
InChIKeyIUAUOINSSCOQHN-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.24
Rot. Bonds6

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 112804151) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID112804151
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-2-30-20-10-8-18(9-11-20)24(29)27-14-12-19(13-15-27)25-22(28)21-16-31-23(26-21)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3,(H,25,28)
InChIKeyIUAUOINSSCOQHN-UHFFFAOYSA-N
XLogP4.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 112804141
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119455343
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-nitrothiophene-3-carboxamide
CID 112834504
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 112804151) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3csc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IUAUOINSSCOQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-2-30-20-10-8-18(9-11-20)24(29)27-14-12-19(13-15-27)25-22(28)21-16-31-23(26-21)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3,(H,25,28).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112804151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).