ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate

C14H16N4O2S — CID 6371275

IUPACethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1N/N=C\c1ccc(CC)cc1
InChIInChI=1S/C14H16N4O2S/c1-3-10-5-7-11(8-6-10)9-15-17-13-12(16-18-21-13)14(19)20-4-2/h5-9,17H,3-4H2,1-2H3/b15-9-
InChIKeyYSFFWTYJLSHNNN-DHDCSXOGSA-N
MW304.38 g/mol
LogP2.72
Rot. Bonds6

About ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate

ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate (PubChem CID 6371275) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
PubChem CID6371275
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Nameethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1N/N=C\c1ccc(CC)cc1
InChIInChI=1S/C14H16N4O2S/c1-3-10-5-7-11(8-6-10)9-15-17-13-12(16-18-21-13)14(19)20-4-2/h5-9,17H,3-4H2,1-2H3/b15-9-
InChIKeyYSFFWTYJLSHNNN-DHDCSXOGSA-N
XLogP2.72
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.72
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 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate (CID 6371275) is ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1N/N=C\c1ccc(CC)cc1.
What is the InChIKey of ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The InChIKey is YSFFWTYJLSHNNN-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-10-5-7-11(8-6-10)9-15-17-13-12(16-18-21-13)14(19)20-4-2/h5-9,17H,3-4H2,1-2H3/b15-9-.
What are the key properties of ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate has a molecular weight of 304.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate is sourced from PubChem (CID 6371275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).