5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid

C12H10N2O3S2 — CID 6309805

IUPAC5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/NC(=O)c1cccs1)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H10N2O3S2/c1-7(8-4-5-10(19-8)12(16)17)13-14-11(15)9-3-2-6-18-9/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7-
InChIKeyGOCYXRBEEYOZTK-QPEQYQDCSA-N
MW294.36 g/mol
LogP2.66
Rot. Bonds4

About 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid

5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid (PubChem CID 6309805) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
PubChem CID6309805
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC Name5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/NC(=O)c1cccs1)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H10N2O3S2/c1-7(8-4-5-10(19-8)12(16)17)13-14-11(15)9-3-2-6-18-9/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7-
InChIKeyGOCYXRBEEYOZTK-QPEQYQDCSA-N
XLogP2.66
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.66
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-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 6074875
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5090031
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826199
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid (CID 6309805) is 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid is C/C(=N/NC(=O)c1cccs1)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid?
The InChIKey is GOCYXRBEEYOZTK-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c1-7(8-4-5-10(19-8)12(16)17)13-14-11(15)9-3-2-6-18-9/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7-.
What are the key properties of 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid?
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 6309805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).