ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

C15H14ClN3O2S — CID 142506663

IUPACethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
SMILESCC.COC(=O)c1csc2nc(-c3ccccn3)nc(Cl)c12
InChIInChI=1S/C13H8ClN3O2S.C2H6/c1-19-13(18)7-6-20-12-9(7)10(14)16-11(17-12)8-4-2-3-5-15-8;1-2/h2-6H,1H3;1-2H3
InChIKeyGXGJMESALHQQBF-UHFFFAOYSA-N
MW335.82 g/mol
LogP4.22
Rot. Bonds2

About ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate (PubChem CID 142506663) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
PubChem CID142506663
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Nameethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
SMILESCC.COC(=O)c1csc2nc(-c3ccccn3)nc(Cl)c12
InChIInChI=1S/C13H8ClN3O2S.C2H6/c1-19-13(18)7-6-20-12-9(7)10(14)16-11(17-12)8-4-2-3-5-15-8;1-2/h2-6H,1H3;1-2H3
InChIKeyGXGJMESALHQQBF-UHFFFAOYSA-N
XLogP4.22
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate 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 ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate (CID 142506663) is ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate is CC.COC(=O)c1csc2nc(-c3ccccn3)nc(Cl)c12.
What is the InChIKey of ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is GXGJMESALHQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S.C2H6/c1-19-13(18)7-6-20-12-9(7)10(14)16-11(17-12)8-4-2-3-5-15-8;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 335.82 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 142506663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).