4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol

C20H19N3O2S — CID 7066908

IUPAC4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3sccn3c2Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C20H19N3O2S/c1-12-5-4-6-13(2)17(12)21-19-18(22-20-23(19)9-10-26-20)14-7-8-15(24)16(11-14)25-3/h4-11,21,24H,1-3H3
InChIKeySONCOXZXEVGMLE-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.14
Rot. Bonds4

About 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol

4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol (PubChem CID 7066908) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol
PubChem CID7066908
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3sccn3c2Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C20H19N3O2S/c1-12-5-4-6-13(2)17(12)21-19-18(22-20-23(19)9-10-26-20)14-7-8-15(24)16(11-14)25-3/h4-11,21,24H,1-3H3
InChIKeySONCOXZXEVGMLE-UHFFFAOYSA-N
XLogP5.14
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol (CID 7066908) is 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol is COc1cc(-c2nc3sccn3c2Nc2c(C)cccc2C)ccc1O.
What is the InChIKey of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol?
The InChIKey is SONCOXZXEVGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-5-4-6-13(2)17(12)21-19-18(22-20-23(19)9-10-26-20)14-7-8-15(24)16(11-14)25-3/h4-11,21,24H,1-3H3.
What are the key properties of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol?
4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol has a molecular weight of 365.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol is sourced from PubChem (CID 7066908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).