5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one

C11H8BrN3OS — CID 78942968

IUPAC5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cn2ccsc2n1
InChIInChI=1S/C11H8BrN3OS/c12-8-1-2-10(16)15(5-8)7-9-6-14-3-4-17-11(14)13-9/h1-6H,7H2
InChIKeyMGQCENZIWMFANI-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.37
Rot. Bonds2

About 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one

5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one (PubChem CID 78942968) has the molecular formula C11H8BrN3OS and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
PubChem CID78942968
Molecular FormulaC11H8BrN3OS
Molecular Weight310.18 g/mol
Exact Mass308.96
IUPAC Name5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cn2ccsc2n1
InChIInChI=1S/C11H8BrN3OS/c12-8-1-2-10(16)15(5-8)7-9-6-14-3-4-17-11(14)13-9/h1-6H,7H2
InChIKeyMGQCENZIWMFANI-UHFFFAOYSA-N
XLogP2.37
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116619522
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
3-chloro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazin-2-one
CID 114561657
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one (CID 78942968) is 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one is O=c1ccc(Br)cn1Cc1cn2ccsc2n1.
What is the InChIKey of 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one?
The InChIKey is MGQCENZIWMFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS/c12-8-1-2-10(16)15(5-8)7-9-6-14-3-4-17-11(14)13-9/h1-6H,7H2.
What are the key properties of 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one?
5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one has a molecular weight of 310.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one is sourced from PubChem (CID 78942968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).