N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C13H13N3O3S — CID 6382135

IUPACN-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C13H13N3O3S/c1-9(10-4-2-6-19-10)15-16-12(17)8-14-13(18)11-5-3-7-20-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)/b15-9-
InChIKeyCPJUUCSYIGNSJK-DHDCSXOGSA-N
MW291.33 g/mol
LogP1.61
Rot. Bonds5

About N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 6382135) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID6382135
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C13H13N3O3S/c1-9(10-4-2-6-19-10)15-16-12(17)8-14-13(18)11-5-3-7-20-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)/b15-9-
InChIKeyCPJUUCSYIGNSJK-DHDCSXOGSA-N
XLogP1.61
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.61
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

(E)-N-(2-(2-(furan-2-ylmethylene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
CID 6895673
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'-[1-(2-furyl)ethylidene]-4,5-dimethyl-3-thiophenecarbohydrazide
CID 5412326
(Z)-N'-(1-(furan-2-yl)ethylidene)thiophene-2-carbohydrazide
CID 6338631
2-(diethylamino)-1-(5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11841123
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'-[(E)-2-furylmethylidene]-2-(2-thienyl)acetohydrazide
CID 6869206
1-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 3146328
N'-(2-furylmethylene)-2-thiophenecarbohydrazide
CID 6867869
1-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2951972

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 6382135) is N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is C/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccco1.
What is the InChIKey of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CPJUUCSYIGNSJK-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9(10-4-2-6-19-10)15-16-12(17)8-14-13(18)11-5-3-7-20-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)/b15-9-.
What are the key properties of N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6382135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).