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

C13H14N4O3S — CID 6002132

IUPACethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1N/N=C\c1ccccc1OC
InChIInChI=1S/C13H14N4O3S/c1-3-20-13(18)11-12(21-17-15-11)16-14-8-9-6-4-5-7-10(9)19-2/h4-8,16H,3H2,1-2H3/b14-8-
InChIKeyIYNSEKIEMUEIPD-ZSOIEALJSA-N
MW306.35 g/mol
LogP2.17
Rot. Bonds6

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

ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate (PubChem CID 6002132) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
PubChem CID6002132
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Nameethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1N/N=C\c1ccccc1OC
InChIInChI=1S/C13H14N4O3S/c1-3-20-13(18)11-12(21-17-15-11)16-14-8-9-6-4-5-7-10(9)19-2/h4-8,16H,3H2,1-2H3/b14-8-
InChIKeyIYNSEKIEMUEIPD-ZSOIEALJSA-N
XLogP2.17
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate (CID 6002132) is ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1N/N=C\c1ccccc1OC.
What is the InChIKey of ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The InChIKey is IYNSEKIEMUEIPD-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-3-20-13(18)11-12(21-17-15-11)16-14-8-9-6-4-5-7-10(9)19-2/h4-8,16H,3H2,1-2H3/b14-8-.
What are the key properties of ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate has a molecular weight of 306.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate is sourced from PubChem (CID 6002132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).