5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid

C12H10N2O4S — CID 6074875

IUPAC5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/NC(=O)c1ccco1)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H10N2O4S/c1-7(9-4-5-10(19-9)12(16)17)13-14-11(15)8-3-2-6-18-8/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7-
InChIKeyWGNNJXISMTXERX-QPEQYQDCSA-N
MW278.29 g/mol
LogP2.19
Rot. Bonds4

About 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid

5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid (PubChem CID 6074875) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
PubChem CID6074875
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/NC(=O)c1ccco1)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H10N2O4S/c1-7(9-4-5-10(19-9)12(16)17)13-14-11(15)8-3-2-6-18-8/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7-
InChIKeyWGNNJXISMTXERX-QPEQYQDCSA-N
XLogP2.19
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.19
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-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]furan-2-carboxamide
CID 5412328
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
CID 9086877
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135644319
N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
CID 6005254

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid (CID 6074875) is 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid is C/C(=N/NC(=O)c1ccco1)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The InChIKey is WGNNJXISMTXERX-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-7(9-4-5-10(19-9)12(16)17)13-14-11(15)8-3-2-6-18-8/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7-.
What are the key properties of 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 6074875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).