3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole

C17H15N3O2S — CID 167927791

IUPAC3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole
SMILESCOc1ccc2nc(C)cc(OCc3csc4cncn34)c2c1
InChIInChI=1S/C17H15N3O2S/c1-11-5-16(14-6-13(21-2)3-4-15(14)19-11)22-8-12-9-23-17-7-18-10-20(12)17/h3-7,9-10H,8H2,1-2H3
InChIKeyJHZGUXGLBYFKIR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.84
Rot. Bonds4

About 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole

3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole (PubChem CID 167927791) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole
PubChem CID167927791
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole
SMILESCOc1ccc2nc(C)cc(OCc3csc4cncn34)c2c1
InChIInChI=1S/C17H15N3O2S/c1-11-5-16(14-6-13(21-2)3-4-15(14)19-11)22-8-12-9-23-17-7-18-10-20(12)17/h3-7,9-10H,8H2,1-2H3
InChIKeyJHZGUXGLBYFKIR-UHFFFAOYSA-N
XLogP3.84
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 112812008
N,N-diethyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 112787506
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(2-methoxyphenyl)ethanone
CID 162677128
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
CID 162667689
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 112787517
1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
CID 162672729
N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 40711295
2-(6-methoxy-2-methylquinolin-4-yl)propan-2-ol
CID 82449762
methyl 2-(6-methoxy-2-methylquinolin-4-yl)oxypropanoate
CID 53269444

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole (CID 167927791) is 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole is COc1ccc2nc(C)cc(OCc3csc4cncn34)c2c1.
What is the InChIKey of 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is JHZGUXGLBYFKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-5-16(14-6-13(21-2)3-4-15(14)19-11)22-8-12-9-23-17-7-18-10-20(12)17/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole?
3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 325.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 167927791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).