N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C27H33N3O2S — CID 59209312

IUPACN-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCCN1CCC(c2nc(C(=O)Nc3cc(OC)ccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C27H33N3O2S/c1-3-4-8-15-30-16-13-21(14-17-30)27-29-25(19-33-27)26(31)28-24-18-22(32-2)11-12-23(24)20-9-6-5-7-10-20/h5-7,9-12,18-19,21H,3-4,8,13-17H2,1-2H3,(H,28,31)
InChIKeyDBVODXVZHZWCJB-UHFFFAOYSA-N
MW463.65 g/mol
LogP6.44
Rot. Bonds9

About N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59209312) has the molecular formula C27H33N3O2S and a molecular weight of 463.65 g/mol. Its IUPAC name is N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID59209312
Molecular FormulaC27H33N3O2S
Molecular Weight463.65 g/mol
Exact Mass463.23
IUPAC NameN-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCCN1CCC(c2nc(C(=O)Nc3cc(OC)ccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C27H33N3O2S/c1-3-4-8-15-30-16-13-21(14-17-30)27-29-25(19-33-27)26(31)28-24-18-22(32-2)11-12-23(24)20-9-6-5-7-10-20/h5-7,9-12,18-19,21H,3-4,8,13-17H2,1-2H3,(H,28,31)
InChIKeyDBVODXVZHZWCJB-UHFFFAOYSA-N
XLogP6.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209189
2-(1-hex-4-enoylpiperidin-4-yl)-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 72531405
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methylbutylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208650
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209553
2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210252
2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210058
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 142706070
N-(5-methoxy-2-phenylphenyl)-2-[2-(4-oxopentanoyl)spiro[2.6]nonan-7-yl]-1,3-thiazole-4-carboxamide
CID 142982577
N-[2-(4-aminophenyl)phenyl]-2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89200240
2-[1-(5-hydroxypentyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59210108
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982576

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 59209312) is N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CCCCCN1CCC(c2nc(C(=O)Nc3cc(OC)ccc3-c3ccccc3)cs2)CC1.
What is the InChIKey of N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DBVODXVZHZWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2S/c1-3-4-8-15-30-16-13-21(14-17-30)27-29-25(19-33-27)26(31)28-24-18-22(32-2)11-12-23(24)20-9-6-5-7-10-20/h5-7,9-12,18-19,21H,3-4,8,13-17H2,1-2H3,(H,28,31).
What are the key properties of N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 463.65 g/mol, XLogP of 6.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).