6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one

C17H11BrN4OS — CID 69179976

IUPAC6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C=Cc2c(-c3ccc(Br)cc3)nc3sccn23)[nH]1
InChIInChI=1S/C17H11BrN4OS/c18-12-3-1-11(2-4-12)15-14(22-9-10-24-17(22)21-15)6-5-13-7-8-19-16(23)20-13/h1-10H,(H,19,20,23)
InChIKeyWUKSOWRQHCGODG-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.08
Rot. Bonds3

About 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one

6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one (PubChem CID 69179976) has the molecular formula C17H11BrN4OS and a molecular weight of 399.27 g/mol. Its IUPAC name is 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one
PubChem CID69179976
Molecular FormulaC17H11BrN4OS
Molecular Weight399.27 g/mol
Exact Mass397.98
IUPAC Name6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C=Cc2c(-c3ccc(Br)cc3)nc3sccn23)[nH]1
InChIInChI=1S/C17H11BrN4OS/c18-12-3-1-11(2-4-12)15-14(22-9-10-24-17(22)21-15)6-5-13-7-8-19-16(23)20-13/h1-10H,(H,19,20,23)
InChIKeyWUKSOWRQHCGODG-UHFFFAOYSA-N
XLogP4.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one (CID 69179976) is 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one is O=c1nccc(C=Cc2c(-c3ccc(Br)cc3)nc3sccn23)[nH]1.
What is the InChIKey of 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one?
The InChIKey is WUKSOWRQHCGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4OS/c18-12-3-1-11(2-4-12)15-14(22-9-10-24-17(22)21-15)6-5-13-7-8-19-16(23)20-13/h1-10H,(H,19,20,23).
What are the key properties of 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one?
6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one has a molecular weight of 399.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 69179976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).