cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate

C32H23CoN4O2S2- — CID 138395289

IUPACcobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate
SMILESOc1ccccc1/C=N/c1nc(-c2ccccc2)cs1.[Co].[O-]c1ccccc1/C=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/2C16H12N2OS.Co/c2*19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12;/h2*1-11,19H;/p-1/b2*17-10+;
InChIKeyBQCIUVWTXVHVOV-WVWZWRPUSA-M
MW618.63 g/mol
LogP7.90
Rot. Bonds6

About cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate

cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate (PubChem CID 138395289) has the molecular formula C32H23CoN4O2S2- and a molecular weight of 618.63 g/mol. Its IUPAC name is cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate.

Molecular Properties

Compound Namecobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate
PubChem CID138395289
Molecular FormulaC32H23CoN4O2S2-
Molecular Weight618.63 g/mol
Exact Mass618.06
IUPAC Namecobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate
SMILESOc1ccccc1/C=N/c1nc(-c2ccccc2)cs1.[Co].[O-]c1ccccc1/C=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/2C16H12N2OS.Co/c2*19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12;/h2*1-11,19H;/p-1/b2*17-10+;
InChIKeyBQCIUVWTXVHVOV-WVWZWRPUSA-M
XLogP7.90
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.63
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
CID 5225465
bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
nickel(2+);bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate)
CID 170905301
5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135489146
bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795
4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135505166
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135723550
4-chloro-N-[4-[2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide
CID 135573427
zinc bis(2-[(E)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]iminomethyl]-6-methylphenolate)
CID 53474272
8-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid
CID 1253244
1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 23967821
cobalt(2+);bis(2-[(E)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]iminomethyl]-4-methylphenolate)
CID 53474180

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate?
The IUPAC name of 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) is cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate.
What is the SMILES notation for cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate?
The canonical SMILES for cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate is Oc1ccccc1/C=N/c1nc(-c2ccccc2)cs1.[Co].[O-]c1ccccc1/C=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate?
The InChIKey is BQCIUVWTXVHVOV-WVWZWRPUSA-M. The full InChI is InChI=1S/2C16H12N2OS.Co/c2*19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12;/h2*1-11,19H;/p-1/b2*17-10+;.
What are the key properties of cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate?
cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate has a molecular weight of 618.63 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate is sourced from PubChem (CID 138395289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).