2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile

C10H9N3S2 — CID 83814255

IUPAC2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
SMILESCc1nc(SCC#N)c2c(C)csc2n1
InChIInChI=1S/C10H9N3S2/c1-6-5-15-10-8(6)9(14-4-3-11)12-7(2)13-10/h5H,4H2,1-2H3
InChIKeyFBIYOKZLBKVVQT-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.92
Rot. Bonds2

About 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile

2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile (PubChem CID 83814255) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
PubChem CID83814255
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
SMILESCc1nc(SCC#N)c2c(C)csc2n1
InChIInChI=1S/C10H9N3S2/c1-6-5-15-10-8(6)9(14-4-3-11)12-7(2)13-10/h5H,4H2,1-2H3
InChIKeyFBIYOKZLBKVVQT-UHFFFAOYSA-N
XLogP2.92
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile 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-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
The IUPAC name of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile (CID 83814255) is 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile is Cc1nc(SCC#N)c2c(C)csc2n1.
What is the InChIKey of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
The InChIKey is FBIYOKZLBKVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-6-5-15-10-8(6)9(14-4-3-11)12-7(2)13-10/h5H,4H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile?
2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile has a molecular weight of 235.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile is sourced from PubChem (CID 83814255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).