[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol

C18H13BrN2OS — CID 155518507

IUPAC[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cnc2scc(-c3ccc(Br)cc3)n12
InChIInChI=1S/C18H13BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h1-11,17,22H
InChIKeyOGMJVIXHCYJMBC-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.91
Rot. Bonds3

About [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol

[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol (PubChem CID 155518507) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol
PubChem CID155518507
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC Name[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cnc2scc(-c3ccc(Br)cc3)n12
InChIInChI=1S/C18H13BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h1-11,17,22H
InChIKeyOGMJVIXHCYJMBC-UHFFFAOYSA-N
XLogP4.91
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol (CID 155518507) is [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol is OC(c1ccccc1)c1cnc2scc(-c3ccc(Br)cc3)n12.
What is the InChIKey of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?
The InChIKey is OGMJVIXHCYJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h1-11,17,22H.
What are the key properties of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?
[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol has a molecular weight of 385.29 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 155518507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).