5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one

C12H11BrN4OS — CID 104505797

IUPAC5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
SMILESCc1c(N)cn(Cc2cn3ccsc3n2)c(=O)c1Br
InChIInChI=1S/C12H11BrN4OS/c1-7-9(14)6-17(11(18)10(7)13)5-8-4-16-2-3-19-12(16)15-8/h2-4,6H,5,14H2,1H3
InChIKeyGKHHJDDTPFOAON-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.26
Rot. Bonds2

About 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one

5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one (PubChem CID 104505797) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
PubChem CID104505797
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
SMILESCc1c(N)cn(Cc2cn3ccsc3n2)c(=O)c1Br
InChIInChI=1S/C12H11BrN4OS/c1-7-9(14)6-17(11(18)10(7)13)5-8-4-16-2-3-19-12(16)15-8/h2-4,6H,5,14H2,1H3
InChIKeyGKHHJDDTPFOAON-UHFFFAOYSA-N
XLogP2.26
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
CID 78942968
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
3-chloro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazin-2-one
CID 114561657
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
CID 113289281
6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116619522
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
CID 115335454
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
CID 115334201

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one (CID 104505797) is 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one is Cc1c(N)cn(Cc2cn3ccsc3n2)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one?
The InChIKey is GKHHJDDTPFOAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c1-7-9(14)6-17(11(18)10(7)13)5-8-4-16-2-3-19-12(16)15-8/h2-4,6H,5,14H2,1H3.
What are the key properties of 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one?
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one has a molecular weight of 339.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 104505797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).