4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride

C6H8ClNO2S — CID 167734856

IUPAC4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride
SMILESCc1c(N)csc1C(=O)O.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-3-4(7)2-10-5(3)6(8)9;/h2H,7H2,1H3,(H,8,9);1H
InChIKeyIWIXYPZWLYZKDD-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.76
Rot. Bonds1

About 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride

4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride (PubChem CID 167734856) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride
PubChem CID167734856
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride
SMILESCc1c(N)csc1C(=O)O.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-3-4(7)2-10-5(3)6(8)9;/h2H,7H2,1H3,(H,8,9);1H
InChIKeyIWIXYPZWLYZKDD-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride (CID 167734856) is 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride is Cc1c(N)csc1C(=O)O.Cl.
What is the InChIKey of 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride?
The InChIKey is IWIXYPZWLYZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c1-3-4(7)2-10-5(3)6(8)9;/h2H,7H2,1H3,(H,8,9);1H.
What are the key properties of 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride?
4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride has a molecular weight of 193.66 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 167734856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).