(E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide

C13H13N3O3S — CID 9667547

IUPACN-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1=CC=C(O1)/C=N/NC(=O)CNC(=O)C2=CC=CS2
InChIInChI=1S/C13H13N3O3S/c1-9-4-5-10(19-9)7-15-16-12(17)8-14-13(18)11-3-2-6-20-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)/b15-7+
InChIKeyZSIPYGQUTOAVIX-VIZOYTHASA-N
MW291.33 g/mol
LogP2.00
Rot. Bonds5

About (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide

(E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide (PubChem CID 9667547) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name(E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
PubChem CID9667547
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1=CC=C(O1)/C=N/NC(=O)CNC(=O)C2=CC=CS2
InChIInChI=1S/C13H13N3O3S/c1-9-4-5-10(19-9)7-15-16-12(17)8-14-13(18)11-3-2-6-20-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)/b15-7+
InChIKeyZSIPYGQUTOAVIX-VIZOYTHASA-N
XLogP2.00
TPSA112.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity389

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide?
The IUPAC name of (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide (CID 9667547) is N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide?
The canonical SMILES for (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide is CC1=CC=C(O1)/C=N/NC(=O)CNC(=O)C2=CC=CS2.
What is the InChIKey of (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide?
The InChIKey is ZSIPYGQUTOAVIX-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9-4-5-10(19-9)7-15-16-12(17)8-14-13(18)11-3-2-6-20-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)/b15-7+.
What are the key properties of (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide?
(E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide is sourced from PubChem (CID 9667547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).