N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C25H26N4O2S — CID 59209378

IUPACN-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C25H26N4O2S/c1-2-14-26-25(31)29-15-12-19(13-16-29)24-28-22(17-32-24)23(30)27-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h2-11,17,19H,1,12-16H2,(H,26,31)(H,27,30)
InChIKeyHLHOJRWNYUHKCS-UHFFFAOYSA-N
MW446.58 g/mol
LogP5.14
Rot. Bonds6

About N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209378) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59209378
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C25H26N4O2S/c1-2-14-26-25(31)29-15-12-19(13-16-29)24-28-22(17-32-24)23(30)27-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h2-11,17,19H,1,12-16H2,(H,26,31)(H,27,30)
InChIKeyHLHOJRWNYUHKCS-UHFFFAOYSA-N
XLogP5.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.58
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-[4-[(2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]acetate
CID 59210159
2-[1-(but-2-enylcarbamothioyl)piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 72531337
N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209028
2-[1-(methoxymethylcarbamothioyl)piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209245
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209919
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
N-(2-piperidin-1-ylphenyl)-2-[1-(prop-2-enylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209195
2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 142983094
ethyl 2-[[4-[4-[[2-(4-ethylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]acetate
CID 59209605
2-[1-(but-2-enylcarbamoyl)piperidin-4-yl]-N-(2-tert-butylphenyl)-1,3-thiazole-4-carboxamide
CID 72531406
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
2-[1-[[(E)-but-2-enyl]carbamothioyl]piperidin-4-yl]-N-[2-(4-fluorophenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209730

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209378) is N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is C=CCNC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1.
What is the InChIKey of N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is HLHOJRWNYUHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-2-14-26-25(31)29-15-12-19(13-16-29)24-28-22(17-32-24)23(30)27-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h2-11,17,19H,1,12-16H2,(H,26,31)(H,27,30).
What are the key properties of N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).