ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate

C6H9N3O2S — CID 55281999

IUPACethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NN
InChIInChI=1S/C6H9N3O2S/c1-2-11-6(10)4-5(9-7)12-3-8-4/h3,9H,2,7H2,1H3
InChIKeyAXSGVHASKVIRCZ-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.61
Rot. Bonds3

About ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate

ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate (PubChem CID 55281999) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate
PubChem CID55281999
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Nameethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NN
InChIInChI=1S/C6H9N3O2S/c1-2-11-6(10)4-5(9-7)12-3-8-4/h3,9H,2,7H2,1H3
InChIKeyAXSGVHASKVIRCZ-UHFFFAOYSA-N
XLogP0.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate (CID 55281999) is ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NN.
What is the InChIKey of ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate?
The InChIKey is AXSGVHASKVIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-11-6(10)4-5(9-7)12-3-8-4/h3,9H,2,7H2,1H3.
What are the key properties of ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate?
ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate has a molecular weight of 187.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydrazinyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55281999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).