2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide

C25H24N6O5S — CID 3768914

IUPAC2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
SMILESCCOc1cccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)c4ccc5nonc5c4)CC3)n2)c1
InChIInChI=1S/C25H24N6O5S/c1-2-35-18-5-3-4-16(12-18)22(32)27-28-23(33)21-14-37-24(26-21)15-8-10-31(11-9-15)25(34)17-6-7-19-20(13-17)30-36-29-19/h3-7,12-15H,2,8-11H2,1H3,(H,27,32)(H,28,33)
InChIKeySQOHOXZARDBGCL-UHFFFAOYSA-N
MW520.57 g/mol
LogP3.17
Rot. Bonds6

About 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide

2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 3768914) has the molecular formula C25H24N6O5S and a molecular weight of 520.57 g/mol. Its IUPAC name is 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
PubChem CID3768914
Molecular FormulaC25H24N6O5S
Molecular Weight520.57 g/mol
Exact Mass520.15
IUPAC Name2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
SMILESCCOc1cccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)c4ccc5nonc5c4)CC3)n2)c1
InChIInChI=1S/C25H24N6O5S/c1-2-35-18-5-3-4-16(12-18)22(32)27-28-23(33)21-14-37-24(26-21)15-8-10-31(11-9-15)25(34)17-6-7-19-20(13-17)30-36-29-19/h3-7,12-15H,2,8-11H2,1H3,(H,27,32)(H,28,33)
InChIKeySQOHOXZARDBGCL-UHFFFAOYSA-N
XLogP3.17
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3817500
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide
CID 3783062
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-methyl-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 4992404
ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 6411679
N'-(4-ethylbenzoyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3863958
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 136530461
prop-2-ynyl 4-[4-[[(3-chlorobenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 4658161
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N'-(pyridine-3-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3699076
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
CID 3329153
3-ethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179847
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide (CID 3768914) is 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide is CCOc1cccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)c4ccc5nonc5c4)CC3)n2)c1.
What is the InChIKey of 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is SQOHOXZARDBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5S/c1-2-35-18-5-3-4-16(12-18)22(32)27-28-23(33)21-14-37-24(26-21)15-8-10-31(11-9-15)25(34)17-6-7-19-20(13-17)30-36-29-19/h3-7,12-15H,2,8-11H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 520.57 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3768914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).