3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol

C20H23N3O3S — CID 103597418

IUPAC3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
SMILESCCN(CC)c1cc(-c2nc(-c3ccc(OC)c(O)c3OC)cs2)ccn1
InChIInChI=1S/C20H23N3O3S/c1-5-23(6-2)17-11-13(9-10-21-17)20-22-15(12-27-20)14-7-8-16(25-3)18(24)19(14)26-4/h7-12,24H,5-6H2,1-4H3
InChIKeyLVXWFUIWKKZEGD-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.44
Rot. Bonds7

About 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol

3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol (PubChem CID 103597418) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
PubChem CID103597418
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
SMILESCCN(CC)c1cc(-c2nc(-c3ccc(OC)c(O)c3OC)cs2)ccn1
InChIInChI=1S/C20H23N3O3S/c1-5-23(6-2)17-11-13(9-10-21-17)20-22-15(12-27-20)14-7-8-16(25-3)18(24)19(14)26-4/h7-12,24H,5-6H2,1-4H3
InChIKeyLVXWFUIWKKZEGD-UHFFFAOYSA-N
XLogP4.44
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597559
N,N-diethyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 103597410
3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597524
2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
CID 103597586
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 18707352
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 103597395
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The IUPAC name of 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol (CID 103597418) is 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol is CCN(CC)c1cc(-c2nc(-c3ccc(OC)c(O)c3OC)cs2)ccn1.
What is the InChIKey of 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The InChIKey is LVXWFUIWKKZEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-23(6-2)17-11-13(9-10-21-17)20-22-15(12-27-20)14-7-8-16(25-3)18(24)19(14)26-4/h7-12,24H,5-6H2,1-4H3.
What are the key properties of 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol has a molecular weight of 385.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 103597418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).