ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate

C12H17N3O4S2 — CID 9445268

IUPACethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NNC(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H17N3O4S2/c1-3-19-12(18)7-20-6-10(17)15-14-9(16)4-11-13-8(2)5-21-11/h5H,3-4,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJYRCFNIKOADZSM-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.44
Rot. Bonds7

About ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate

ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate (PubChem CID 9445268) has the molecular formula C12H17N3O4S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate
PubChem CID9445268
Molecular FormulaC12H17N3O4S2
Molecular Weight331.42 g/mol
Exact Mass331.07
IUPAC Nameethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NNC(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H17N3O4S2/c1-3-19-12(18)7-20-6-10(17)15-14-9(16)4-11-13-8(2)5-21-11/h5H,3-4,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJYRCFNIKOADZSM-UHFFFAOYSA-N
XLogP0.44
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate (CID 9445268) is ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate is CCOC(=O)CSCC(=O)NNC(=O)Cc1nc(C)cs1.
What is the InChIKey of ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate?
The InChIKey is JYRCFNIKOADZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S2/c1-3-19-12(18)7-20-6-10(17)15-14-9(16)4-11-13-8(2)5-21-11/h5H,3-4,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate?
ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate has a molecular weight of 331.42 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 9445268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).