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

C27H30N4O3S — CID 59209887

IUPAC2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCC(=O)N1CCC(c2nc(C(=O)Nc3ccc(C)cc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C27H30N4O3S/c1-18-8-9-23(22(16-18)20-6-4-3-5-7-20)29-26(34)24-17-35-27(30-24)21-11-14-31(15-12-21)25(33)10-13-28-19(2)32/h3-9,16-17,21H,10-15H2,1-2H3,(H,28,32)(H,29,34)
InChIKeyDDSJTJPGFYJETC-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.60
Rot. Bonds7

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

2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59209887) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID59209887
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCC(=O)N1CCC(c2nc(C(=O)Nc3ccc(C)cc3-c3ccccc3)cs2)CC1
InChIInChI=1S/C27H30N4O3S/c1-18-8-9-23(22(16-18)20-6-4-3-5-7-20)29-26(34)24-17-35-27(30-24)21-11-14-31(15-12-21)25(33)10-13-28-19(2)32/h3-9,16-17,21H,10-15H2,1-2H3,(H,28,32)(H,29,34)
InChIKeyDDSJTJPGFYJETC-UHFFFAOYSA-N
XLogP4.60
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-2-phenylphenyl)-2-[1-(propylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209237
2-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59208884
ethyl 2-[[4-[4-[(4-methyl-2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]acetate
CID 59209995
methyl (3R)-3-methyl-4-[4-[4-[(4-methyl-2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 59209024
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
2-[1-[3-(2,3-dihydrothiophen-2-yl)propanoyl]piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70908044
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209919
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
methyl N-[3-[4-[4-[[2-(4-methylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-prop-1-en-2-ylcarbamodithioate
CID 142982944
N-(4-methyl-2-phenylphenyl)-2-[4-(pyridin-3-ylmethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 71026080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide (CID 59209887) is 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide is CC(=O)NCCC(=O)N1CCC(c2nc(C(=O)Nc3ccc(C)cc3-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DDSJTJPGFYJETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-18-8-9-23(22(16-18)20-6-4-3-5-7-20)29-26(34)24-17-35-27(30-24)21-11-14-31(15-12-21)25(33)10-13-28-19(2)32/h3-9,16-17,21H,10-15H2,1-2H3,(H,28,32)(H,29,34).
What are the key properties of 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide?
2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).