5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine

C17H12N2S2 — CID 154458730

IUPAC5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3nc(-c4cccs4)ncc23)cc1
InChIInChI=1S/C17H12N2S2/c1-11-4-6-12(7-5-11)14-10-21-17-13(14)9-18-16(19-17)15-3-2-8-20-15/h2-10H,1H3
InChIKeyAQHYCMNUHIVLLB-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.40
Rot. Bonds2

About 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine

5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 154458730) has the molecular formula C17H12N2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID154458730
Molecular FormulaC17H12N2S2
Molecular Weight308.43 g/mol
Exact Mass308.04
IUPAC Name5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3nc(-c4cccs4)ncc23)cc1
InChIInChI=1S/C17H12N2S2/c1-11-4-6-12(7-5-11)14-10-21-17-13(14)9-18-16(19-17)15-3-2-8-20-15/h2-10H,1H3
InChIKeyAQHYCMNUHIVLLB-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine 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-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 154458730) is 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine is Cc1ccc(-c2csc3nc(-c4cccs4)ncc23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is AQHYCMNUHIVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S2/c1-11-4-6-12(7-5-11)14-10-21-17-13(14)9-18-16(19-17)15-3-2-8-20-15/h2-10H,1H3.
What are the key properties of 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 308.43 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 154458730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).