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

C11H12N2O3S — CID 8826199

IUPAC5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12N2O3S/c1-6(12-13-10(14)7-2-3-7)8-4-5-9(17-8)11(15)16/h4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16)/b12-6-
InChIKeyPOAHEHPXEZYEJZ-SDQBBNPISA-N
MW252.29 g/mol
LogP1.70
Rot. Bonds4

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

5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid (PubChem CID 8826199) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
PubChem CID8826199
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H12N2O3S/c1-6(12-13-10(14)7-2-3-7)8-4-5-9(17-8)11(15)16/h4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16)/b12-6-
InChIKeyPOAHEHPXEZYEJZ-SDQBBNPISA-N
XLogP1.70
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]cyclohexanecarboxamide
CID 6386438
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
5-[C-methyl-N-(9H-xanthene-9-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 1226415
5-[(Z)-N-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826225
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 6074875
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid (CID 8826199) is 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid is C/C(=N/NC(=O)C1CC1)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The InChIKey is POAHEHPXEZYEJZ-SDQBBNPISA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6(12-13-10(14)7-2-3-7)8-4-5-9(17-8)11(15)16/h4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16)/b12-6-.
What are the key properties of 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 8826199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).