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

C24H28N6O4S — CID 3783062

IUPACN'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)NNC(=O)c4ccc5nonc5c4)cs3)CC2)C1(C)C
InChIInChI=1S/C24H28N6O4S/c1-23(2)18(24(23,3)4)22(33)30-9-7-13(8-10-30)21-25-17(12-35-21)20(32)27-26-19(31)14-5-6-15-16(11-14)29-34-28-15/h5-6,11-13,18H,7-10H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyJSNMZBRQCPXMQT-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.14
Rot. Bonds4

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

N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide (PubChem CID 3783062) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide
PubChem CID3783062
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)NNC(=O)c4ccc5nonc5c4)cs3)CC2)C1(C)C
InChIInChI=1S/C24H28N6O4S/c1-23(2)18(24(23,3)4)22(33)30-9-7-13(8-10-30)21-25-17(12-35-21)20(32)27-26-19(31)14-5-6-15-16(11-14)29-34-28-15/h5-6,11-13,18H,7-10H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyJSNMZBRQCPXMQT-UHFFFAOYSA-N
XLogP3.14
TPSA130.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridine-4-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3248199
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 3768914
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3817500
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-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-4-carbohydrazide
CID 3579880
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-methyl-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 4992404
N-(2-methyl-1,3-benzothiazol-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3833664
N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3864446
N'-methyl-N'-quinoxalin-2-yl-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3541032
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646
[4-[4-(1,3-dihydrobenzo[de]isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 5020119

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide?
The IUPAC name of N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide (CID 3783062) is N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide is CC1(C)C(C(=O)N2CCC(c3nc(C(=O)NNC(=O)c4ccc5nonc5c4)cs3)CC2)C1(C)C.
What is the InChIKey of N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide?
The InChIKey is JSNMZBRQCPXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-23(2)18(24(23,3)4)22(33)30-9-7-13(8-10-30)21-25-17(12-35-21)20(32)27-26-19(31)14-5-6-15-16(11-14)29-34-28-15/h5-6,11-13,18H,7-10H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide?
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide has a molecular weight of 496.59 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide is sourced from PubChem (CID 3783062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).