ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate

C9H13N3O3S2 — CID 63582152

IUPACethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H13N3O3S2/c1-2-15-7(13)5-16-3-6-4-17-9(11-6)8(14)12-10/h4H,2-3,5,10H2,1H3,(H,12,14)
InChIKeyPFWLSACVPMUWQJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.54
Rot. Bonds6

About ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate

ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate (PubChem CID 63582152) has the molecular formula C9H13N3O3S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate
PubChem CID63582152
Molecular FormulaC9H13N3O3S2
Molecular Weight275.35 g/mol
Exact Mass275.04
IUPAC Nameethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H13N3O3S2/c1-2-15-7(13)5-16-3-6-4-17-9(11-6)8(14)12-10/h4H,2-3,5,10H2,1H3,(H,12,14)
InChIKeyPFWLSACVPMUWQJ-UHFFFAOYSA-N
XLogP0.54
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate (CID 63582152) is ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate is CCOC(=O)CSCc1csc(C(=O)NN)n1.
What is the InChIKey of ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The InChIKey is PFWLSACVPMUWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S2/c1-2-15-7(13)5-16-3-6-4-17-9(11-6)8(14)12-10/h4H,2-3,5,10H2,1H3,(H,12,14).
What are the key properties of ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate has a molecular weight of 275.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate is sourced from PubChem (CID 63582152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).