2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole

C18H18N2O2S — CID 19041094

IUPAC2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OCC
InChIInChI=1S/C18H18N2O2S/c1-3-21-16-9-8-13(11-17(16)22-4-2)18-20-15(12-23-18)14-7-5-6-10-19-14/h5-12H,3-4H2,1-2H3
InChIKeyCZEHGQUTYNUGMM-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.67
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole

2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 19041094) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID19041094
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OCC
InChIInChI=1S/C18H18N2O2S/c1-3-21-16-9-8-13(11-17(16)22-4-2)18-20-15(12-23-18)14-7-5-6-10-19-14/h5-12H,3-4H2,1-2H3
InChIKeyCZEHGQUTYNUGMM-UHFFFAOYSA-N
XLogP4.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole 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-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole (CID 19041094) is 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole is CCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is CZEHGQUTYNUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-21-16-9-8-13(11-17(16)22-4-2)18-20-15(12-23-18)14-7-5-6-10-19-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 326.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 19041094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).