methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate

C12H10ClNO2S — CID 760871

IUPACmethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)csc1N
InChIInChI=1S/C12H10ClNO2S/c1-16-12(15)10-9(6-17-11(10)14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKeyMMDGBRSRVRPRMY-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.44
Rot. Bonds2

About methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate

methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate (PubChem CID 760871) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
PubChem CID760871
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Namemethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)csc1N
InChIInChI=1S/C12H10ClNO2S/c1-16-12(15)10-9(6-17-11(10)14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKeyMMDGBRSRVRPRMY-UHFFFAOYSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-4-(4-chlorophenyl)thiophene-3-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 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate (CID 760871) is methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate is COC(=O)c1c(-c2ccc(Cl)cc2)csc1N.
What is the InChIKey of methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate?
The InChIKey is MMDGBRSRVRPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-16-12(15)10-9(6-17-11(10)14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3.
What are the key properties of methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate?
methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate has a molecular weight of 267.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate is sourced from PubChem (CID 760871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).