5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide

C14H11N3O3S — CID 174459159

IUPAC5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide
SMILESNNC(=O)c1cc(-c2cc3ccccc3o2)sc1C(N)=O
InChIInChI=1S/C14H11N3O3S/c15-13(18)12-8(14(19)17-16)6-11(21-12)10-5-7-3-1-2-4-9(7)20-10/h1-6H,16H2,(H2,15,18)(H,17,19)
InChIKeyLQIRFGNCGFWCGP-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.86
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide

5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide (PubChem CID 174459159) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide
PubChem CID174459159
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide
SMILESNNC(=O)c1cc(-c2cc3ccccc3o2)sc1C(N)=O
InChIInChI=1S/C14H11N3O3S/c15-13(18)12-8(14(19)17-16)6-11(21-12)10-5-7-3-1-2-4-9(7)20-10/h1-6H,16H2,(H2,15,18)(H,17,19)
InChIKeyLQIRFGNCGFWCGP-UHFFFAOYSA-N
XLogP1.86
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310
N-(3-carbamoyl-5-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
CID 16857844
3,5-diamino-4-(1-benzofuran-2-yl)-6-(butylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 71141586
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
3-amino-4-(1-benzofuran-2-yl)-5-cyano-6-[2-(methylamino)ethylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 59486162
ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644957
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
CID 56708499
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
5-(1-benzofuran-2-yl)-1,3-thiazole
CID 18436904

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide (CID 174459159) is 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide is NNC(=O)c1cc(-c2cc3ccccc3o2)sc1C(N)=O.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide?
The InChIKey is LQIRFGNCGFWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-13(18)12-8(14(19)17-16)6-11(21-12)10-5-7-3-1-2-4-9(7)20-10/h1-6H,16H2,(H2,15,18)(H,17,19).
What are the key properties of 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide?
5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3-(hydrazinecarbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 174459159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).