2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene

C18H20S3 — CID 134244113

IUPAC2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene
SMILESCc1cc(-c2cc(Cc3scc(C)c3C)c(C)s2)sc1C
InChIInChI=1S/C18H20S3/c1-10-6-17(20-13(10)4)18-8-15(14(5)21-18)7-16-12(3)11(2)9-19-16/h6,8-9H,7H2,1-5H3
InChIKeyIQBHVOSSAJGRBN-UHFFFAOYSA-N
MW332.56 g/mol
LogP6.67
Rot. Bonds3

About 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene

2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene (PubChem CID 134244113) has the molecular formula C18H20S3 and a molecular weight of 332.56 g/mol. Its IUPAC name is 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene.

Molecular Properties

Compound Name2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene
PubChem CID134244113
Molecular FormulaC18H20S3
Molecular Weight332.56 g/mol
Exact Mass332.07
IUPAC Name2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene
SMILESCc1cc(-c2cc(Cc3scc(C)c3C)c(C)s2)sc1C
InChIInChI=1S/C18H20S3/c1-10-6-17(20-13(10)4)18-8-15(14(5)21-18)7-16-12(3)11(2)9-19-16/h6,8-9H,7H2,1-5H3
InChIKeyIQBHVOSSAJGRBN-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene 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 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene?
The IUPAC name of 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene (CID 134244113) is 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene.
What is the SMILES notation for 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene?
The canonical SMILES for 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene is Cc1cc(-c2cc(Cc3scc(C)c3C)c(C)s2)sc1C.
What is the InChIKey of 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene?
The InChIKey is IQBHVOSSAJGRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S3/c1-10-6-17(20-13(10)4)18-8-15(14(5)21-18)7-16-12(3)11(2)9-19-16/h6,8-9H,7H2,1-5H3.
What are the key properties of 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene?
2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene has a molecular weight of 332.56 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene is sourced from PubChem (CID 134244113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).