4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine

C23H18Cl2N2S — CID 138393008

IUPAC4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESClc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2S/c24-18-11-12-20(21(25)15-18)22-16-28-23(26-19-9-5-2-6-10-19)27(22)14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2/b26-23-
InChIKeyAXZVIPJJERUFAY-RWEWTDSWSA-N
MW425.38 g/mol
LogP7.00
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine

4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138393008) has the molecular formula C23H18Cl2N2S and a molecular weight of 425.38 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138393008
Molecular FormulaC23H18Cl2N2S
Molecular Weight425.38 g/mol
Exact Mass424.06
IUPAC Name4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESClc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2S/c24-18-11-12-20(21(25)15-18)22-16-28-23(26-19-9-5-2-6-10-19)27(22)14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2/b26-23-
InChIKeyAXZVIPJJERUFAY-RWEWTDSWSA-N
XLogP7.00
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.38
LogP ≤ 57.00
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

N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 45135464
4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393007
3-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]phenol;hydrochloride
CID 45124282
4-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45135321
N-(3-chlorophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 17388964
4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonic acid
CID 2131674
4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2322788
N-phenyl-3-(2-phenylethyl)-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4701336
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 163332772
4-[[4-(2,4-dichlorophenyl)-3-[3-(diethylamino)propyl]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23995237
N-(3-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392938

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138393008) is 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is Clc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is AXZVIPJJERUFAY-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18Cl2N2S/c24-18-11-12-20(21(25)15-18)22-16-28-23(26-19-9-5-2-6-10-19)27(22)14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2/b26-23-.
What are the key properties of 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 425.38 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138393008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).