5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol

C16H11BrN2OS — CID 135489146

IUPAC5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
SMILESOc1cc(Br)ccc1/C=N\c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11BrN2OS/c17-13-7-6-12(15(20)8-13)9-18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-10,20H/b18-9-
InChIKeySRYBBNBDFFQCIO-NVMNQCDNSA-N
MW359.25 g/mol
LogP5.03
Rot. Bonds3

About 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol

5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol (PubChem CID 135489146) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
PubChem CID135489146
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
SMILESOc1cc(Br)ccc1/C=N\c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11BrN2OS/c17-13-7-6-12(15(20)8-13)9-18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-10,20H/b18-9-
InChIKeySRYBBNBDFFQCIO-NVMNQCDNSA-N
XLogP5.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795
bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
CID 5225465
cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate
CID 138395289
4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135505166
nickel(2+);bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate)
CID 170905301
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
4-chloro-N-[4-[2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide
CID 135573427
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
4-bromo-2-[[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 163817113
8-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid
CID 1253244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol (CID 135489146) is 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol is Oc1cc(Br)ccc1/C=N\c1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
The InChIKey is SRYBBNBDFFQCIO-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-13-7-6-12(15(20)8-13)9-18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-10,20H/b18-9-.
What are the key properties of 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol has a molecular weight of 359.25 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135489146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).