ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate

C18H14FN3O3S — CID 4291243

IUPACethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cnccn1
InChIInChI=1S/C18H14FN3O3S/c1-2-25-18(24)15-13(11-3-5-12(19)6-4-11)10-26-17(15)22-16(23)14-9-20-7-8-21-14/h3-10H,2H2,1H3,(H,22,23)
InChIKeyWWBIJLAPDPQGEQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.77
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 4291243) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID4291243
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Nameethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cnccn1
InChIInChI=1S/C18H14FN3O3S/c1-2-25-18(24)15-13(11-3-5-12(19)6-4-11)10-26-17(15)22-16(23)14-9-20-7-8-21-14/h3-10H,2H2,1H3,(H,22,23)
InChIKeyWWBIJLAPDPQGEQ-UHFFFAOYSA-N
XLogP3.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CID 4291243) is ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cnccn1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is WWBIJLAPDPQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-2-25-18(24)15-13(11-3-5-12(19)6-4-11)10-26-17(15)22-16(23)14-9-20-7-8-21-14/h3-10H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 4291243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).