methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate

C14H11NO2S — CID 11492603

IUPACmethyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2[nH]c(-c3ccccc3)cc2s1
InChIInChI=1S/C14H11NO2S/c1-17-14(16)13-8-11-12(18-13)7-10(15-11)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyMSLQQXYPTVSSCQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.68
Rot. Bonds2

About methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate

methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate (PubChem CID 11492603) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate
PubChem CID11492603
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2[nH]c(-c3ccccc3)cc2s1
InChIInChI=1S/C14H11NO2S/c1-17-14(16)13-8-11-12(18-13)7-10(15-11)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyMSLQQXYPTVSSCQ-UHFFFAOYSA-N
XLogP3.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-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-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate (CID 11492603) is methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2[nH]c(-c3ccccc3)cc2s1.
What is the InChIKey of methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The InChIKey is MSLQQXYPTVSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)13-8-11-12(18-13)7-10(15-11)9-5-3-2-4-6-9/h2-8,15H,1H3.
What are the key properties of methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 11492603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).