4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C20H23N5O2S — CID 78883719

IUPAC4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1
InChIInChI=1S/C20H23N5O2S/c1-24(2)20(27)25-9-7-16(8-10-25)18(26)23-19-22-13-17(28-19)11-14-3-5-15(12-21)6-4-14/h3-6,13,16H,7-11H2,1-2H3,(H,22,23,26)
InChIKeyJZSBHSQZYMMNMY-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.94
Rot. Bonds4

About 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 78883719) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID78883719
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1
InChIInChI=1S/C20H23N5O2S/c1-24(2)20(27)25-9-7-16(8-10-25)18(26)23-19-22-13-17(28-19)11-14-3-5-15(12-21)6-4-14/h3-6,13,16H,7-11H2,1-2H3,(H,22,23,26)
InChIKeyJZSBHSQZYMMNMY-UHFFFAOYSA-N
XLogP2.94
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074653
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 78869341
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide
CID 86850729
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153155
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-butanoylpiperidine-4-carboxamide
CID 55880655
1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 30685210
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 78883719) is 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1.
What is the InChIKey of 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is JZSBHSQZYMMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-24(2)20(27)25-9-7-16(8-10-25)18(26)23-19-22-13-17(28-19)11-14-3-5-15(12-21)6-4-14/h3-6,13,16H,7-11H2,1-2H3,(H,22,23,26).
What are the key properties of 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 78883719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).