N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C12H11N3O3S — CID 6895673

IUPACN-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)N/N=C/c1ccco1
InChIInChI=1S/C12H11N3O3S/c16-11(15-14-7-9-3-1-5-18-9)8-13-12(17)10-4-2-6-19-10/h1-7H,8H2,(H,13,17)(H,15,16)/b14-7+
InChIKeyVRFGXGBNKBZAAH-VGOFMYFVSA-N
MW277.31 g/mol
LogP1.22
Rot. Bonds5

About N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 6895673) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID6895673
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)N/N=C/c1ccco1
InChIInChI=1S/C12H11N3O3S/c16-11(15-14-7-9-3-1-5-18-9)8-13-12(17)10-4-2-6-19-10/h1-7H,8H2,(H,13,17)(H,15,16)/b14-7+
InChIKeyVRFGXGBNKBZAAH-VGOFMYFVSA-N
XLogP1.22
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.22
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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Related Compounds

N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2093798
N-({N'-[(1E)-(3-methylthiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9665049
(E)-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
CID 9667547
N'-(3-(2-Furyl)-2-propenylidene)-2-thiophenecarbohydrazide
CID 6865118
Thiophen-2-yl-acetic acid (3-furan-2-yl-2-methyl-allylidene)-hydrazide
CID 9594520
(E)-N'-((5-methylfuran-2-yl)methylene)-2-(thiophen-2-yl)acetohydrazide
CID 5390357
Thiophene-2-carboxylic acid [1-furan-2-yl-eth-(Z)-ylidene-hydrazinocarbonylmethyl]-amide
CID 6382135
N-{2-oxo-2-[2-(2-thienylmethylene)hydrazino]ethyl}-2-furamide
CID 6895868
N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9504797
N'-(3-(2-Furyl)-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 5757569
N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]thiophene-2-carbohydrazide
CID 6865134
N'-[(E)-2-furylmethylidene]-2-(2-thienyl)acetohydrazide
CID 6869206

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 6895673) is N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)N/N=C/c1ccco1.
What is the InChIKey of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VRFGXGBNKBZAAH-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-11(15-14-7-9-3-1-5-18-9)8-13-12(17)10-4-2-6-19-10/h1-7H,8H2,(H,13,17)(H,15,16)/b14-7+.
What are the key properties of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6895673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).