[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

C20H23N3O3S2 — CID 55563022

IUPAC[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCC12CCC(C/C1=N/NC(=O)COC(=O)c1csc(-c3cccs3)n1)C2(C)C
InChIInChI=1S/C20H23N3O3S2/c1-19(2)12-6-7-20(19,3)15(9-12)22-23-16(24)10-26-18(25)13-11-28-17(21-13)14-5-4-8-27-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,23,24)/b22-15-
InChIKeyWPOXBCBKLFNMRQ-JCMHNJIXSA-N
MW417.56 g/mol
LogP4.35
Rot. Bonds5

About [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 55563022) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID55563022
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCC12CCC(C/C1=N/NC(=O)COC(=O)c1csc(-c3cccs3)n1)C2(C)C
InChIInChI=1S/C20H23N3O3S2/c1-19(2)12-6-7-20(19,3)15(9-12)22-23-16(24)10-26-18(25)13-11-28-17(21-13)14-5-4-8-27-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,23,24)/b22-15-
InChIKeyWPOXBCBKLFNMRQ-JCMHNJIXSA-N
XLogP4.35
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 3-(ethylsulfamoyl)benzoate
CID 71954156
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 55380175
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55537066
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 46608638
2-chloro-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 584224
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120806158
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 26968758
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
2-(1H-indol-3-yl)-N-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9370713
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 55563022) is [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is CC12CCC(C/C1=N/NC(=O)COC(=O)c1csc(-c3cccs3)n1)C2(C)C.
What is the InChIKey of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is WPOXBCBKLFNMRQ-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-19(2)12-6-7-20(19,3)15(9-12)22-23-16(24)10-26-18(25)13-11-28-17(21-13)14-5-4-8-27-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,23,24)/b22-15-.
What are the key properties of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 417.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55563022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).