3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid

C10H7Cl2NO2S2 — CID 107963227

IUPAC3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2cc(Cl)sc2Cl)sc(C(=O)O)c1N
InChIInChI=1S/C10H7Cl2NO2S2/c1-3-6(13)8(10(14)15)17-7(3)4-2-5(11)16-9(4)12/h2H,13H2,1H3,(H,14,15)
InChIKeyQRNIQAQTOZCHIT-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.37
Rot. Bonds2

About 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid

3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 107963227) has the molecular formula C10H7Cl2NO2S2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID107963227
Molecular FormulaC10H7Cl2NO2S2
Molecular Weight308.21 g/mol
Exact Mass306.93
IUPAC Name3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2cc(Cl)sc2Cl)sc(C(=O)O)c1N
InChIInChI=1S/C10H7Cl2NO2S2/c1-3-6(13)8(10(14)15)17-7(3)4-2-5(11)16-9(4)12/h2H,13H2,1H3,(H,14,15)
InChIKeyQRNIQAQTOZCHIT-UHFFFAOYSA-N
XLogP4.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid (CID 107963227) is 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid is Cc1c(-c2cc(Cl)sc2Cl)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is QRNIQAQTOZCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2S2/c1-3-6(13)8(10(14)15)17-7(3)4-2-5(11)16-9(4)12/h2H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 308.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 107963227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).