4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine

C23H19BrN2S — CID 3305573

IUPAC4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19BrN2S/c1-16-3-11-20(12-4-16)25-23-26(21-13-5-17(2)6-14-21)22(15-27-23)18-7-9-19(24)10-8-18/h3-15H,1-2H3/b25-23-
InChIKeyKOAXMJOHFHJFDO-BZZOAKBMSA-N
MW435.39 g/mol
LogP6.82
Rot. Bonds3

About 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine

4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 3305573) has the molecular formula C23H19BrN2S and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID3305573
Molecular FormulaC23H19BrN2S
Molecular Weight435.39 g/mol
Exact Mass434.05
IUPAC Name4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19BrN2S/c1-16-3-11-20(12-4-16)25-23-26(21-13-5-17(2)6-14-21)22(15-27-23)18-7-9-19(24)10-8-18/h3-15H,1-2H3/b25-23-
InChIKeyKOAXMJOHFHJFDO-BZZOAKBMSA-N
XLogP6.82
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.39
LogP ≤ 56.82
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine (CID 3305573) is 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is KOAXMJOHFHJFDO-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H19BrN2S/c1-16-3-11-20(12-4-16)25-23-26(21-13-5-17(2)6-14-21)22(15-27-23)18-7-9-19(24)10-8-18/h3-15H,1-2H3/b25-23-.
What are the key properties of 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine?
4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 435.39 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,3-bis(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3305573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).