ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate

C8H13N3O2S — CID 83025014

IUPACethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NN(C)C
InChIInChI=1S/C8H13N3O2S/c1-4-13-8(12)6-7(10-11(2)3)14-5-9-6/h5,10H,4H2,1-3H3
InChIKeyUHTPQUXMCKUHHU-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.21
Rot. Bonds4

About ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate

ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate (PubChem CID 83025014) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate
PubChem CID83025014
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NN(C)C
InChIInChI=1S/C8H13N3O2S/c1-4-13-8(12)6-7(10-11(2)3)14-5-9-6/h5,10H,4H2,1-3H3
InChIKeyUHTPQUXMCKUHHU-UHFFFAOYSA-N
XLogP1.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate (CID 83025014) is ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NN(C)C.
What is the InChIKey of ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is UHTPQUXMCKUHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4-13-8(12)6-7(10-11(2)3)14-5-9-6/h5,10H,4H2,1-3H3.
What are the key properties of ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 215.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylhydrazinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 83025014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).