methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate

C13H12FNO2S — CID 83971387

IUPACmethyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(-c2ccc(F)cc2)c1N
InChIInChI=1S/C13H12FNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(15)12(18-7)13(16)17-2/h3-6H,15H2,1-2H3
InChIKeyWNSHJUNXIYCABP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.23
Rot. Bonds2

About methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate

methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate (PubChem CID 83971387) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate
PubChem CID83971387
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(-c2ccc(F)cc2)c1N
InChIInChI=1S/C13H12FNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(15)12(18-7)13(16)17-2/h3-6H,15H2,1-2H3
InChIKeyWNSHJUNXIYCABP-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CID 2777492
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 674768
Methyl 2-amino-5-phenylthiophene-3-carboxylate
CID 705256
Methyl 3-aminobenzo[b]thiophene-2-carboxylate
CID 874720
Ethyl 2-amino-5-phenylthiophene-3-carboxylate
CID 638860
Ethyl 2-amino-4-(4-aminophenyl)thiophene-3-carboxylate
CID 60001348
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Methyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 712411
Ethyl 2-amino-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate
CID 627637
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
CID 693902

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate (CID 83971387) is methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate is COC(=O)c1sc(C)c(-c2ccc(F)cc2)c1N.
What is the InChIKey of methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate?
The InChIKey is WNSHJUNXIYCABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(15)12(18-7)13(16)17-2/h3-6H,15H2,1-2H3.
What are the key properties of methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate?
methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(4-fluorophenyl)-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 83971387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).