3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol

C16H19N3OS — CID 43790156

IUPAC3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2c(C)nc3scc(C)n23)c(C)c1O
InChIInChI=1S/C16H19N3OS/c1-9-5-6-13(11(3)15(9)20)17-7-14-12(4)18-16-19(14)10(2)8-21-16/h5-6,8,17,20H,7H2,1-4H3
InChIKeySLEUVWNBWDMCDY-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.95
Rot. Bonds3

About 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol

3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol (PubChem CID 43790156) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol
PubChem CID43790156
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2c(C)nc3scc(C)n23)c(C)c1O
InChIInChI=1S/C16H19N3OS/c1-9-5-6-13(11(3)15(9)20)17-7-14-12(4)18-16-19(14)10(2)8-21-16/h5-6,8,17,20H,7H2,1-4H3
InChIKeySLEUVWNBWDMCDY-UHFFFAOYSA-N
XLogP3.95
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol (CID 43790156) is 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2c(C)nc3scc(C)n23)c(C)c1O.
What is the InChIKey of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol?
The InChIKey is SLEUVWNBWDMCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9-5-6-13(11(3)15(9)20)17-7-14-12(4)18-16-19(14)10(2)8-21-16/h5-6,8,17,20H,7H2,1-4H3.
What are the key properties of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol?
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol has a molecular weight of 301.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43790156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).