hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid

C7H10N2O4S — CID 159424463

IUPAChydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)O)s1.NN
InChIInChI=1S/C7H6O4S.H4N2/c1-11-7(10)5-3-2-4(12-5)6(8)9;1-2/h2-3H,1H3,(H,8,9);1-2H2
InChIKeyLQEFZLXAJNQUDG-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.05
Rot. Bonds2

About hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid

hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid (PubChem CID 159424463) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Namehydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
PubChem CID159424463
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Namehydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)O)s1.NN
InChIInChI=1S/C7H6O4S.H4N2/c1-11-7(10)5-3-2-4(12-5)6(8)9;1-2/h2-3H,1H3,(H,8,9);1-2H2
InChIKeyLQEFZLXAJNQUDG-UHFFFAOYSA-N
XLogP0.05
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
methyl 5-(2,2-dibromoacetyl)thiophene-2-carboxylate
CID 57362687
methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
CID 47154054
methyl 5-[(1E)-1-aminobuta-1,3-dien-2-yl]thiophene-2-carboxylate
CID 144949550
5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
CID 158503805
methyl 5-(dimethylamino)thiophene-2-carboxylate
CID 10773874
methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 10703720
2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
CID 87011686
CID 67009336
CID 67009336
5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 14099082
methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
CID 134057736

Frequently Asked Questions

What is the IUPAC name of hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid?
The IUPAC name of hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid (CID 159424463) is hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid.
What is the SMILES notation for hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid?
The canonical SMILES for hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid is COC(=O)c1ccc(C(=O)O)s1.NN.
What is the InChIKey of hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid?
The InChIKey is LQEFZLXAJNQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4S.H4N2/c1-11-7(10)5-3-2-4(12-5)6(8)9;1-2/h2-3H,1H3,(H,8,9);1-2H2.
What are the key properties of hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid?
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid has a molecular weight of 218.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid is sourced from PubChem (CID 159424463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).