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

C32H24CoN4O2S2 — CID 5225465

IUPACcobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
SMILESOc1ccccc1C=Nc1nc(-c2ccccc2)cs1.Oc1ccccc1C=Nc1nc(-c2ccccc2)cs1.[Co]
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;
InChIKeyBQCIUVWTXVHVOV-UHFFFAOYSA-N
MW619.64 g/mol
LogP8.53
Rot. Bonds6

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

cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol) (PubChem CID 5225465) has the molecular formula C32H24CoN4O2S2 and a molecular weight of 619.64 g/mol. Its IUPAC name is cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol).

Molecular Properties

Compound Namecobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
PubChem CID5225465
Molecular FormulaC32H24CoN4O2S2
Molecular Weight619.64 g/mol
Exact Mass619.07
IUPAC Namecobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
SMILESOc1ccccc1C=Nc1nc(-c2ccccc2)cs1.Oc1ccccc1C=Nc1nc(-c2ccccc2)cs1.[Co]
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;
InChIKeyBQCIUVWTXVHVOV-UHFFFAOYSA-N
XLogP8.53
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.64
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
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
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
nickel(2+);bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate)
CID 170905301
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
8-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid
CID 1253244
(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine
CID 119086097
4-chloro-N-[4-[2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide
CID 135573427
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 23967821

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)?
The IUPAC name of cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol) (CID 5225465) is cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol).
What is the SMILES notation for cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)?
The canonical SMILES for cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol) is Oc1ccccc1C=Nc1nc(-c2ccccc2)cs1.Oc1ccccc1C=Nc1nc(-c2ccccc2)cs1.[Co].
What is the InChIKey of cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)?
The InChIKey is BQCIUVWTXVHVOV-UHFFFAOYSA-N. 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;.
What are the key properties of cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)?
cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol) has a molecular weight of 619.64 g/mol, XLogP of 8.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol) is sourced from PubChem (CID 5225465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).