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

C23H27N3O3S — CID 103597524

IUPAC3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
SMILESCOc1ccc(-c2csc(-c3ccnc(N4CCCCCCC4)c3)n2)c(OC)c1O
InChIInChI=1S/C23H27N3O3S/c1-28-19-9-8-17(22(29-2)21(19)27)18-15-30-23(25-18)16-10-11-24-20(14-16)26-12-6-4-3-5-7-13-26/h8-11,14-15,27H,3-7,12-13H2,1-2H3
InChIKeyYXXHZOAADVXBQM-UHFFFAOYSA-N
MW425.55 g/mol
LogP5.37
Rot. Bonds5

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

3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol (PubChem CID 103597524) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
PubChem CID103597524
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
SMILESCOc1ccc(-c2csc(-c3ccnc(N4CCCCCCC4)c3)n2)c(OC)c1O
InChIInChI=1S/C23H27N3O3S/c1-28-19-9-8-17(22(29-2)21(19)27)18-15-30-23(25-18)16-10-11-24-20(14-16)26-12-6-4-3-5-7-13-26/h8-11,14-15,27H,3-7,12-13H2,1-2H3
InChIKeyYXXHZOAADVXBQM-UHFFFAOYSA-N
XLogP5.37
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597559
3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597418
4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597458
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 134273339
2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
CID 103597586
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
2,6-dimethoxy-3-piperidin-1-ylphenol
CID 177031782
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The IUPAC name of 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol (CID 103597524) is 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol is COc1ccc(-c2csc(-c3ccnc(N4CCCCCCC4)c3)n2)c(OC)c1O.
What is the InChIKey of 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The InChIKey is YXXHZOAADVXBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-28-19-9-8-17(22(29-2)21(19)27)18-15-30-23(25-18)16-10-11-24-20(14-16)26-12-6-4-3-5-7-13-26/h8-11,14-15,27H,3-7,12-13H2,1-2H3.
What are the key properties of 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol has a molecular weight of 425.55 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 103597524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).