2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol

C13H8BrN3O2S — CID 135614191

IUPAC2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Br)cc2)nc1/C=N/c1nccs1
InChIInChI=1S/C13H8BrN3O2S/c14-9-3-1-8(2-4-9)11-17-10(12(18)19-11)7-16-13-15-5-6-20-13/h1-7,18H/b16-7+
InChIKeyIEGUNIIBOSIBHL-FRKPEAEDSA-N
MW350.20 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol

2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol (PubChem CID 135614191) has the molecular formula C13H8BrN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
PubChem CID135614191
Molecular FormulaC13H8BrN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.95
IUPAC Name2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Br)cc2)nc1/C=N/c1nccs1
InChIInChI=1S/C13H8BrN3O2S/c14-9-3-1-8(2-4-9)11-17-10(12(18)19-11)7-16-13-15-5-6-20-13/h1-7,18H/b16-7+
InChIKeyIEGUNIIBOSIBHL-FRKPEAEDSA-N
XLogP4.02
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135432812
2-(4-bromophenyl)-4-[(E)-pyrimidin-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135684440
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
CID 10730521
5-bromo-2-[[2-(4-bromophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4306298
4-[(4-bromophenyl)iminomethyl]-2-(4-nitrophenyl)-1,3-oxazol-5-ol
CID 5006778
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
CID 135688989
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 3983604
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 5016002

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol (CID 135614191) is 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol is Oc1oc(-c2ccc(Br)cc2)nc1/C=N/c1nccs1.
What is the InChIKey of 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
The InChIKey is IEGUNIIBOSIBHL-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8BrN3O2S/c14-9-3-1-8(2-4-9)11-17-10(12(18)19-11)7-16-13-15-5-6-20-13/h1-7,18H/b16-7+.
What are the key properties of 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol?
2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol has a molecular weight of 350.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 135614191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).