2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole

C20H20N2O3S — CID 19041129

IUPAC2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3cccc(C4CO4)n3)cs2)cc1OCC
InChIInChI=1S/C20H20N2O3S/c1-3-23-17-9-8-13(10-18(17)24-4-2)20-22-16(12-26-20)14-6-5-7-15(21-14)19-11-25-19/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyZRMTUUYQUBIEEV-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.74
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole

2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 19041129) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID19041129
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3cccc(C4CO4)n3)cs2)cc1OCC
InChIInChI=1S/C20H20N2O3S/c1-3-23-17-9-8-13(10-18(17)24-4-2)20-22-16(12-26-20)14-6-5-7-15(21-14)19-11-25-19/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyZRMTUUYQUBIEEV-UHFFFAOYSA-N
XLogP4.74
TPSA56.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
CID 19041101
2-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]acetonitrile
CID 19041026
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
CID 18707123
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
CID 19041001
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxy-3-(2-methylprop-2-enyl)benzoic acid
CID 18707195
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-benzofuran-7-carboxylic acid
CID 18707309

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole (CID 19041129) is 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole is CCOc1ccc(-c2nc(-c3cccc(C4CO4)n3)cs2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is ZRMTUUYQUBIEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-23-17-9-8-13(10-18(17)24-4-2)20-22-16(12-26-20)14-6-5-7-15(21-14)19-11-25-19/h5-10,12,19H,3-4,11H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole?
2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 368.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-4-[6-(oxiran-2-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 19041129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).