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

C10H7Br2NO2S2 — CID 83035979

IUPAC3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2cc(Br)c(Br)s2)sc(C(=O)O)c1N
InChIInChI=1S/C10H7Br2NO2S2/c1-3-6(13)8(10(14)15)17-7(3)5-2-4(11)9(12)16-5/h2H,13H2,1H3,(H,14,15)
InChIKeyFQWWQRZGPYOHOS-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.59
Rot. Bonds2

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

3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 83035979) has the molecular formula C10H7Br2NO2S2 and a molecular weight of 397.11 g/mol. Its IUPAC name is 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID83035979
Molecular FormulaC10H7Br2NO2S2
Molecular Weight397.11 g/mol
Exact Mass394.83
IUPAC Name3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2cc(Br)c(Br)s2)sc(C(=O)O)c1N
InChIInChI=1S/C10H7Br2NO2S2/c1-3-6(13)8(10(14)15)17-7(3)5-2-4(11)9(12)16-5/h2H,13H2,1H3,(H,14,15)
InChIKeyFQWWQRZGPYOHOS-UHFFFAOYSA-N
XLogP4.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid
CID 83034931
3-amino-5-(2-bromophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035790
3-amino-5-(2-bromo-5-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83033919
3-amino-5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035784
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
3-amino-5-(2-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83035985
3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
CID 107963227
3-amino-4-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene-2-carboxylic acid
CID 83034587
3-amino-5-(3,4-difluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83034938
3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035980
3-amino-4-methyl-5-(3-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 83035572
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid (CID 83035979) is 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid is Cc1c(-c2cc(Br)c(Br)s2)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is FQWWQRZGPYOHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO2S2/c1-3-6(13)8(10(14)15)17-7(3)5-2-4(11)9(12)16-5/h2H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid?
3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 397.11 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,5-dibromothiophen-2-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 83035979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).