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

C13H13NO3S — CID 712407

IUPACmethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccc(OC)c2)csc1N
InChIInChI=1S/C13H13NO3S/c1-16-9-5-3-4-8(6-9)10-7-18-12(14)11(10)13(15)17-2/h3-7H,14H2,1-2H3
InChIKeyYDYZHGKGTXEBGM-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.79
Rot. Bonds3

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

methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate (PubChem CID 712407) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate
PubChem CID712407
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Namemethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccc(OC)c2)csc1N
InChIInChI=1S/C13H13NO3S/c1-16-9-5-3-4-8(6-9)10-7-18-12(14)11(10)13(15)17-2/h3-7H,14H2,1-2H3
InChIKeyYDYZHGKGTXEBGM-UHFFFAOYSA-N
XLogP2.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate (CID 712407) is methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate is COC(=O)c1c(-c2cccc(OC)c2)csc1N.
What is the InChIKey of methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate?
The InChIKey is YDYZHGKGTXEBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-16-9-5-3-4-8(6-9)10-7-18-12(14)11(10)13(15)17-2/h3-7H,14H2,1-2H3.
What are the key properties of methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate?
methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 712407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).