ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate

C14H13Cl2NO2S — CID 63398439

IUPACethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)c(C)c1N
InChIInChI=1S/C14H13Cl2NO2S/c1-3-19-14(18)13-11(17)7(2)12(20-13)8-4-9(15)6-10(16)5-8/h4-6H,3,17H2,1-2H3
InChIKeyBQNKIGATZSFDLG-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.79
Rot. Bonds3

About ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate

ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate (PubChem CID 63398439) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
PubChem CID63398439
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Nameethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)c(C)c1N
InChIInChI=1S/C14H13Cl2NO2S/c1-3-19-14(18)13-11(17)7(2)12(20-13)8-4-9(15)6-10(16)5-8/h4-6H,3,17H2,1-2H3
InChIKeyBQNKIGATZSFDLG-UHFFFAOYSA-N
XLogP4.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate
CID 106688205
ethyl 3-amino-5-(2,3-dimethylphenyl)-4-methylthiophene-2-carboxylate
CID 63398527
ethyl 3-amino-5-(3-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398955
ethyl 3-amino-5-(2-bromo-4-fluorophenyl)-4-methylthiophene-2-carboxylate
CID 63399083
ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
methyl 3-amino-5-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 81295644
methyl 3-amino-5-(3-bromo-5-methylphenyl)-4-methylthiophene-2-carboxylate
CID 104853332
methyl 3-amino-4-methyl-5-(3-methylphenyl)thiophene-2-carboxylate
CID 61313970
methyl 3-amino-4-methyl-5-(4-propan-2-ylphenyl)thiophene-2-carboxylate
CID 63398957
3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83036198

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate (CID 63398439) is ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)c(C)c1N.
What is the InChIKey of ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate?
The InChIKey is BQNKIGATZSFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-3-19-14(18)13-11(17)7(2)12(20-13)8-4-9(15)6-10(16)5-8/h4-6H,3,17H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate?
ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate has a molecular weight of 330.24 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 63398439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).