methyl 5-aminothiophene-2-carboxylate;hydrochloride

C6H8ClNO2S — CID 18791669

IUPACmethyl 5-aminothiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N)s1.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-3-5(7)10-4;/h2-3H,7H2,1H3;1H
InChIKeyCYWTXBPHVRYDBE-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.54
Rot. Bonds1

About methyl 5-aminothiophene-2-carboxylate;hydrochloride

methyl 5-aminothiophene-2-carboxylate;hydrochloride (PubChem CID 18791669) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is methyl 5-aminothiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-aminothiophene-2-carboxylate;hydrochloride
PubChem CID18791669
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Namemethyl 5-aminothiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(N)s1.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-3-5(7)10-4;/h2-3H,7H2,1H3;1H
InChIKeyCYWTXBPHVRYDBE-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-aminothiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-aminothiophene-2-carboxylate;hydrochloride (CID 18791669) is methyl 5-aminothiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-aminothiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-aminothiophene-2-carboxylate;hydrochloride is COC(=O)c1ccc(N)s1.Cl.
What is the InChIKey of methyl 5-aminothiophene-2-carboxylate;hydrochloride?
The InChIKey is CYWTXBPHVRYDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-3-5(7)10-4;/h2-3H,7H2,1H3;1H.
What are the key properties of methyl 5-aminothiophene-2-carboxylate;hydrochloride?
methyl 5-aminothiophene-2-carboxylate;hydrochloride has a molecular weight of 193.66 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminothiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 18791669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).