5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole

C16H17NO3S — CID 118617127

IUPAC5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole
SMILESCOc1cc(Cc2cc3sccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C16H17NO3S/c1-18-13-7-10(8-14(19-2)16(13)20-3)6-11-9-15-12(17-11)4-5-21-15/h4-5,7-9,17H,6H2,1-3H3
InChIKeyUKKMXZVLSLWTBQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.85
Rot. Bonds5

About 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole

5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole (PubChem CID 118617127) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole
PubChem CID118617127
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole
SMILESCOc1cc(Cc2cc3sccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C16H17NO3S/c1-18-13-7-10(8-14(19-2)16(13)20-3)6-11-9-15-12(17-11)4-5-21-15/h4-5,7-9,17H,6H2,1-3H3
InChIKeyUKKMXZVLSLWTBQ-UHFFFAOYSA-N
XLogP3.85
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole 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 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole?
The IUPAC name of 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole (CID 118617127) is 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole?
The canonical SMILES for 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole is COc1cc(Cc2cc3sccc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole?
The InChIKey is UKKMXZVLSLWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-18-13-7-10(8-14(19-2)16(13)20-3)6-11-9-15-12(17-11)4-5-21-15/h4-5,7-9,17H,6H2,1-3H3.
What are the key properties of 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole?
5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole has a molecular weight of 303.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4,5-trimethoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 118617127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).