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

C12H9Cl2NO2S — CID 83035980

IUPAC3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(Cl)cc2Cl)sc(C(=O)O)c1N
InChIInChI=1S/C12H9Cl2NO2S/c1-5-9(15)11(12(16)17)18-10(5)7-3-2-6(13)4-8(7)14/h2-4H,15H2,1H3,(H,16,17)
InChIKeyFSCFITQPEMFCOC-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.31
Rot. Bonds2

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

3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 83035980) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID83035980
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2ccc(Cl)cc2Cl)sc(C(=O)O)c1N
InChIInChI=1S/C12H9Cl2NO2S/c1-5-9(15)11(12(16)17)18-10(5)7-3-2-6(13)4-8(7)14/h2-4H,15H2,1H3,(H,16,17)
InChIKeyFSCFITQPEMFCOC-UHFFFAOYSA-N
XLogP4.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(2,5-dichlorothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
CID 107963227
3-amino-5-(2-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83035985
3-amino-5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035784
3-amino-5-(2-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylic acid
CID 106861777
3-amino-5-(3,4-difluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83034938
3-amino-5-(2-bromophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035790
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674
3-amino-5-(2-bromo-5-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83033919
3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid
CID 83034931
3-amino-5-(2-methoxy-4-nitrophenyl)-4-methylthiophene-2-carboxylic acid
CID 104783575
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid (CID 83035980) is 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid is Cc1c(-c2ccc(Cl)cc2Cl)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is FSCFITQPEMFCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c1-5-9(15)11(12(16)17)18-10(5)7-3-2-6(13)4-8(7)14/h2-4H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid?
3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 302.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 83035980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).