methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate

C12H9Cl2NO2S — CID 43155504

IUPACmethyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C12H9Cl2NO2S/c1-17-12(16)11-9(15)5-10(18-11)6-2-7(13)4-8(14)3-6/h2-5H,15H2,1H3
InChIKeyVGQDEFVTYMTIJR-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.09
Rot. Bonds2

About methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate

methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate (PubChem CID 43155504) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate
PubChem CID43155504
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Namemethyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C12H9Cl2NO2S/c1-17-12(16)11-9(15)5-10(18-11)6-2-7(13)4-8(14)3-6/h2-5H,15H2,1H3
InChIKeyVGQDEFVTYMTIJR-UHFFFAOYSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate (CID 43155504) is methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate is COC(=O)c1sc(-c2cc(Cl)cc(Cl)c2)cc1N.
What is the InChIKey of methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate?
The InChIKey is VGQDEFVTYMTIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c1-17-12(16)11-9(15)5-10(18-11)6-2-7(13)4-8(14)3-6/h2-5H,15H2,1H3.
What are the key properties of methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate?
methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate has a molecular weight of 302.18 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 43155504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).