4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C22H30N4O2S — CID 46491446

IUPAC4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1
InChIInChI=1S/C22H30N4O2S/c1-22(2,3)17-8-6-15(7-9-17)18-14-29-20(23-18)24-19(27)16-10-12-26(13-11-16)21(28)25(4)5/h6-9,14,16H,10-13H2,1-5H3,(H,23,24,27)
InChIKeyMHUGWNMZVIEFMD-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.44
Rot. Bonds3

About 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 46491446) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID46491446
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1
InChIInChI=1S/C22H30N4O2S/c1-22(2,3)17-8-6-15(7-9-17)18-14-29-20(23-18)24-19(27)16-10-12-26(13-11-16)21(28)25(4)5/h6-9,14,16H,10-13H2,1-5H3,(H,23,24,27)
InChIKeyMHUGWNMZVIEFMD-UHFFFAOYSA-N
XLogP4.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 25481173
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55647270
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 46491446) is 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.
What is the InChIKey of 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is MHUGWNMZVIEFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-22(2,3)17-8-6-15(7-9-17)18-14-29-20(23-18)24-19(27)16-10-12-26(13-11-16)21(28)25(4)5/h6-9,14,16H,10-13H2,1-5H3,(H,23,24,27).
What are the key properties of 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 414.58 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 46491446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).