4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide

C23H20BrN2S- — CID 21203040

IUPAC4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide
SMILESCc1ccc(C)c(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)c1.[Br-]
InChIInChI=1S/C23H20N2S.BrH/c1-17-13-14-18(2)21(15-17)22-16-26-23(24-19-9-5-3-6-10-19)25(22)20-11-7-4-8-12-20;/h3-16H,1-2H3;1H/p-1/b24-23-;
InChIKeyPSFUMFHTIMYNRH-DCXSSQDFSA-M
MW436.40 g/mol
LogP3.06
Rot. Bonds3

About 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide

4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide (PubChem CID 21203040) has the molecular formula C23H20BrN2S- and a molecular weight of 436.40 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide
PubChem CID21203040
Molecular FormulaC23H20BrN2S-
Molecular Weight436.40 g/mol
Exact Mass435.05
IUPAC Name4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide
SMILESCc1ccc(C)c(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)c1.[Br-]
InChIInChI=1S/C23H20N2S.BrH/c1-17-13-14-18(2)21(15-17)22-16-26-23(24-19-9-5-3-6-10-19)25(22)20-11-7-4-8-12-20;/h3-16H,1-2H3;1H/p-1/b24-23-;
InChIKeyPSFUMFHTIMYNRH-DCXSSQDFSA-M
XLogP3.06
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
CID 14690176
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 2472240
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,3-diphenyl-1,3-thiazol-2-imine
CID 4701350
3-(2,5-dimethylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 115391373
N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 584019
4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile
CID 16750986
2-methyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
CID 20527375
4-[[3-(4-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 34909125
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
N,3-bis(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813234

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide (CID 21203040) is 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide is Cc1ccc(C)c(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)c1.[Br-].
What is the InChIKey of 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide?
The InChIKey is PSFUMFHTIMYNRH-DCXSSQDFSA-M. The full InChI is InChI=1S/C23H20N2S.BrH/c1-17-13-14-18(2)21(15-17)22-16-26-23(24-19-9-5-3-6-10-19)25(22)20-11-7-4-8-12-20;/h3-16H,1-2H3;1H/p-1/b24-23-;.
What are the key properties of 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide?
4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide has a molecular weight of 436.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide is sourced from PubChem (CID 21203040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).