4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine

C14H14N2S2 — CID 22892578

IUPAC4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine
SMILESCc1cc(-c2nncc3c(C)sc(C)c23)c(C)s1
InChIInChI=1S/C14H14N2S2/c1-7-5-11(8(2)17-7)14-13-10(4)18-9(3)12(13)6-15-16-14/h5-6H,1-4H3
InChIKeyNGGNIYXXLGIYIO-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.65
Rot. Bonds1

About 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine

4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine (PubChem CID 22892578) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine
PubChem CID22892578
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine
SMILESCc1cc(-c2nncc3c(C)sc(C)c23)c(C)s1
InChIInChI=1S/C14H14N2S2/c1-7-5-11(8(2)17-7)14-13-10(4)18-9(3)12(13)6-15-16-14/h5-6H,1-4H3
InChIKeyNGGNIYXXLGIYIO-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine 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 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine (CID 22892578) is 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine is Cc1cc(-c2nncc3c(C)sc(C)c23)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine?
The InChIKey is NGGNIYXXLGIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-7-5-11(8(2)17-7)14-13-10(4)18-9(3)12(13)6-15-16-14/h5-6H,1-4H3.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine?
4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine has a molecular weight of 274.41 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-5,7-dimethylthieno[3,4-d]pyridazine is sourced from PubChem (CID 22892578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).