N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine

C23H20N2O2S — CID 3743621

IUPACN,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-26-20-12-8-18(9-13-20)24-23-25(19-10-14-21(27-2)15-11-19)22(16-28-23)17-6-4-3-5-7-17/h3-16H,1-2H3/b24-23-
InChIKeyICNKNPGMDHNROE-VHXPQNKSSA-N
MW388.49 g/mol
LogP5.46
Rot. Bonds5

About N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine

N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 3743621) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID3743621
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-26-20-12-8-18(9-13-20)24-23-25(19-10-14-21(27-2)15-11-19)22(16-28-23)17-6-4-3-5-7-17/h3-16H,1-2H3/b24-23-
InChIKeyICNKNPGMDHNROE-VHXPQNKSSA-N
XLogP5.46
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine (CID 3743621) is N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is ICNKNPGMDHNROE-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-26-20-12-8-18(9-13-20)24-23-25(19-10-14-21(27-2)15-11-19)22(16-28-23)17-6-4-3-5-7-17/h3-16H,1-2H3/b24-23-.
What are the key properties of N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 388.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 3743621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).