2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide

C24H30N4O4S — CID 3329153

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(COc1ccccc1)NNC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C24H30N4O4S/c29-21(15-32-19-9-5-2-6-10-19)26-27-22(30)20-16-33-23(25-20)17-11-13-28(14-12-17)24(31)18-7-3-1-4-8-18/h2,5-6,9-10,16-18H,1,3-4,7-8,11-15H2,(H,26,29)(H,27,30)
InChIKeyQFPVCZAWNJRUBS-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.27
Rot. Bonds6

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 3329153) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
PubChem CID3329153
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(COc1ccccc1)NNC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C24H30N4O4S/c29-21(15-32-19-9-5-2-6-10-19)26-27-22(30)20-16-33-23(25-20)17-11-13-28(14-12-17)24(31)18-7-3-1-4-8-18/h2,5-6,9-10,16-18H,1,3-4,7-8,11-15H2,(H,26,29)(H,27,30)
InChIKeyQFPVCZAWNJRUBS-UHFFFAOYSA-N
XLogP3.27
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(1,4-dimethylpiperazine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 5015255
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
N'-(pyridine-2-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3610090
N'-(2-chlorobenzoyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3586423
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 141248256
tert-butyl 4-[4-[(pyridine-2-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3695799
1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
CID 3770311
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23732060
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3859579
1-[4-(cyclohexanecarbonyl)-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108079
prop-2-ynyl 4-[4-[(pyridine-3-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3459681

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide (CID 3329153) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide is O=C(COc1ccccc1)NNC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is QFPVCZAWNJRUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-21(15-32-19-9-5-2-6-10-19)26-27-22(30)20-16-33-23(25-20)17-11-13-28(14-12-17)24(31)18-7-3-1-4-8-18/h2,5-6,9-10,16-18H,1,3-4,7-8,11-15H2,(H,26,29)(H,27,30).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 470.60 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3329153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).