ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate

C17H19N3O3S — CID 2807544

IUPACethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NN=C2CCCc3cc(OC)ccc32)n1
InChIInChI=1S/C17H19N3O3S/c1-3-23-16(21)15-10-24-17(18-15)20-19-14-6-4-5-11-9-12(22-2)7-8-13(11)14/h7-10H,3-6H2,1-2H3,(H,18,20)
InChIKeyFOIMTAHKFZCRRU-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.48
Rot. Bonds5

About ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate (PubChem CID 2807544) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
PubChem CID2807544
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Nameethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NN=C2CCCc3cc(OC)ccc32)n1
InChIInChI=1S/C17H19N3O3S/c1-3-23-16(21)15-10-24-17(18-15)20-19-14-6-4-5-11-9-12(22-2)7-8-13(11)14/h7-10H,3-6H2,1-2H3,(H,18,20)
InChIKeyFOIMTAHKFZCRRU-UHFFFAOYSA-N
XLogP3.48
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.48
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate (CID 2807544) is ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NN=C2CCCc3cc(OC)ccc32)n1.
What is the InChIKey of ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
The InChIKey is FOIMTAHKFZCRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-23-16(21)15-10-24-17(18-15)20-19-14-6-4-5-11-9-12(22-2)7-8-13(11)14/h7-10H,3-6H2,1-2H3,(H,18,20).
What are the key properties of ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2807544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).