ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate

C9H11N3O4S — CID 177312512

IUPACethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)c1csc(C)n1
InChIInChI=1S/C9H11N3O4S/c1-3-16-9(15)8(14)12-11-7(13)6-4-17-5(2)10-6/h4H,3H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyFLVVPKISJVFKCW-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.22
Rot. Bonds2

About ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate

ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate (PubChem CID 177312512) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate
PubChem CID177312512
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Nameethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)c1csc(C)n1
InChIInChI=1S/C9H11N3O4S/c1-3-16-9(15)8(14)12-11-7(13)6-4-17-5(2)10-6/h4H,3H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyFLVVPKISJVFKCW-UHFFFAOYSA-N
XLogP-0.22
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate (CID 177312512) is ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNC(=O)c1csc(C)n1.
What is the InChIKey of ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate?
The InChIKey is FLVVPKISJVFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-3-16-9(15)8(14)12-11-7(13)6-4-17-5(2)10-6/h4H,3H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate?
ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate has a molecular weight of 257.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 177312512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).