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

C9H13N3O3S — CID 935571

IUPACethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NNC(C)=O)sc1C
InChIInChI=1S/C9H13N3O3S/c1-4-15-8(14)7-5(2)16-9(10-7)12-11-6(3)13/h4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyJRIGEBBJVSIXCD-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.09
Rot. Bonds4

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

ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 935571) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID935571
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NNC(C)=O)sc1C
InChIInChI=1S/C9H13N3O3S/c1-4-15-8(14)7-5(2)16-9(10-7)12-11-6(3)13/h4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyJRIGEBBJVSIXCD-UHFFFAOYSA-N
XLogP1.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
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 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 935571) is ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NNC(C)=O)sc1C.
What is the InChIKey of ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is JRIGEBBJVSIXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-4-15-8(14)7-5(2)16-9(10-7)12-11-6(3)13/h4H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 243.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetylhydrazinyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 935571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).