2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

C17H19N3O3S2 — CID 86974886

IUPAC2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCN(CC)c1nc2sc(C(=O)OCCOc3cccnc3)cc2s1
InChIInChI=1S/C17H19N3O3S2/c1-3-20(4-2)17-19-15-13(25-17)10-14(24-15)16(21)23-9-8-22-12-6-5-7-18-11-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyQCAQDVIECYYHOX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.83
Rot. Bonds8

About 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 86974886) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID86974886
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCN(CC)c1nc2sc(C(=O)OCCOc3cccnc3)cc2s1
InChIInChI=1S/C17H19N3O3S2/c1-3-20(4-2)17-19-15-13(25-17)10-14(24-15)16(21)23-9-8-22-12-6-5-7-18-11-12/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyQCAQDVIECYYHOX-UHFFFAOYSA-N
XLogP3.83
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-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 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (CID 86974886) is 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is CCN(CC)c1nc2sc(C(=O)OCCOc3cccnc3)cc2s1.
What is the InChIKey of 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is QCAQDVIECYYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-20(4-2)17-19-15-13(25-17)10-14(24-15)16(21)23-9-8-22-12-6-5-7-18-11-12/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 86974886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).