ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate

C14H17N3O2S — CID 2541861

IUPACethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-2-19-14(18)10-3-6-17(7-4-10)12-11-5-8-20-13(11)16-9-15-12/h5,8-10H,2-4,6-7H2,1H3
InChIKeyAZDQYKGFOWKIDU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.47
Rot. Bonds3

About ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate

ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate (PubChem CID 2541861) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate
PubChem CID2541861
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-2-19-14(18)10-3-6-17(7-4-10)12-11-5-8-20-13(11)16-9-15-12/h5,8-10H,2-4,6-7H2,1H3
InChIKeyAZDQYKGFOWKIDU-UHFFFAOYSA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-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 ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate (CID 2541861) is ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate?
The InChIKey is AZDQYKGFOWKIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-19-14(18)10-3-6-17(7-4-10)12-11-5-8-20-13(11)16-9-15-12/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate?
ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxylate is sourced from PubChem (CID 2541861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).