[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C12H9ClN2O5S — CID 7146656

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)s1)NNC(=O)c1ccco1
InChIInChI=1S/C12H9ClN2O5S/c13-9-4-3-8(21-9)12(18)20-6-10(16)14-15-11(17)7-2-1-5-19-7/h1-5H,6H2,(H,14,16)(H,15,17)
InChIKeyUNVLFFFRDABIAP-UHFFFAOYSA-N
MW328.73 g/mol
LogP1.61
Rot. Bonds4

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 7146656) has the molecular formula C12H9ClN2O5S and a molecular weight of 328.73 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID7146656
Molecular FormulaC12H9ClN2O5S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)s1)NNC(=O)c1ccco1
InChIInChI=1S/C12H9ClN2O5S/c13-9-4-3-8(21-9)12(18)20-6-10(16)14-15-11(17)7-2-1-5-19-7/h1-5H,6H2,(H,14,16)(H,15,17)
InChIKeyUNVLFFFRDABIAP-UHFFFAOYSA-N
XLogP1.61
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146659
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125715
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate
CID 7633673
[2-(furan-2-carbonylamino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 24557715
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149797
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 7146656) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is O=C(COC(=O)c1ccc(Cl)s1)NNC(=O)c1ccco1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is UNVLFFFRDABIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O5S/c13-9-4-3-8(21-9)12(18)20-6-10(16)14-15-11(17)7-2-1-5-19-7/h1-5H,6H2,(H,14,16)(H,15,17).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 328.73 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).