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

C12H11ClN4O2S — CID 6292692

IUPACethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1N/N=C\c1ccccc1Cl
InChIInChI=1S/C12H11ClN4O2S/c1-2-19-12(18)10-11(20-17-15-10)16-14-7-8-5-3-4-6-9(8)13/h3-7,16H,2H2,1H3/b14-7-
InChIKeyKVGCXDACAVABFD-AUWJEWJLSA-N
MW310.77 g/mol
LogP2.81
Rot. Bonds5

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

ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate (PubChem CID 6292692) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
PubChem CID6292692
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Nameethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1N/N=C\c1ccccc1Cl
InChIInChI=1S/C12H11ClN4O2S/c1-2-19-12(18)10-11(20-17-15-10)16-14-7-8-5-3-4-6-9(8)13/h3-7,16H,2H2,1H3/b14-7-
InChIKeyKVGCXDACAVABFD-AUWJEWJLSA-N
XLogP2.81
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 52.81
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-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate (CID 6292692) is ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1N/N=C\c1ccccc1Cl.
What is the InChIKey of ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
The InChIKey is KVGCXDACAVABFD-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-2-19-12(18)10-11(20-17-15-10)16-14-7-8-5-3-4-6-9(8)13/h3-7,16H,2H2,1H3/b14-7-.
What are the key properties of ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate?
ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate has a molecular weight of 310.77 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate is sourced from PubChem (CID 6292692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).