methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate

C15H14N4O2S — CID 71855079

IUPACmethyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Cn2ccnc2-c2cnccn2)c(C)s1
InChIInChI=1S/C15H14N4O2S/c1-10-11(7-13(22-10)15(20)21-2)9-19-6-5-18-14(19)12-8-16-3-4-17-12/h3-8H,9H2,1-2H3
InChIKeyIYFFRNWQAQVUTP-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.54
Rot. Bonds4

About methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate

methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate (PubChem CID 71855079) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate
PubChem CID71855079
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Namemethyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Cn2ccnc2-c2cnccn2)c(C)s1
InChIInChI=1S/C15H14N4O2S/c1-10-11(7-13(22-10)15(20)21-2)9-19-6-5-18-14(19)12-8-16-3-4-17-12/h3-8H,9H2,1-2H3
InChIKeyIYFFRNWQAQVUTP-UHFFFAOYSA-N
XLogP2.54
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]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 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate (CID 71855079) is methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate is COC(=O)c1cc(Cn2ccnc2-c2cnccn2)c(C)s1.
What is the InChIKey of methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate?
The InChIKey is IYFFRNWQAQVUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-11(7-13(22-10)15(20)21-2)9-19-6-5-18-14(19)12-8-16-3-4-17-12/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate?
methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 71855079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).