4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C21H15BrN4S — CID 2455204

IUPAC4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESBrc1cccc(-c2cs/c(=N\c3ccccc3)n2N=Cc2ccccn2)c1
InChIInChI=1S/C21H15BrN4S/c22-17-8-6-7-16(13-17)20-15-27-21(25-18-9-2-1-3-10-18)26(20)24-14-19-11-4-5-12-23-19/h1-15H/b24-14?,25-21-
InChIKeyQGGVQMPHICHFDG-RSDZEHHHSA-N
MW435.35 g/mol
LogP5.49
Rot. Bonds4

About 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2455204) has the molecular formula C21H15BrN4S and a molecular weight of 435.35 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2455204
Molecular FormulaC21H15BrN4S
Molecular Weight435.35 g/mol
Exact Mass434.02
IUPAC Name4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESBrc1cccc(-c2cs/c(=N\c3ccccc3)n2N=Cc2ccccn2)c1
InChIInChI=1S/C21H15BrN4S/c22-17-8-6-7-16(13-17)20-15-27-21(25-18-9-2-1-3-10-18)26(20)24-14-19-11-4-5-12-23-19/h1-15H/b24-14?,25-21-
InChIKeyQGGVQMPHICHFDG-RSDZEHHHSA-N
XLogP5.49
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2455204) is 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is Brc1cccc(-c2cs/c(=N\c3ccccc3)n2N=Cc2ccccn2)c1.
What is the InChIKey of 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is QGGVQMPHICHFDG-RSDZEHHHSA-N. The full InChI is InChI=1S/C21H15BrN4S/c22-17-8-6-7-16(13-17)20-15-27-21(25-18-9-2-1-3-10-18)26(20)24-14-19-11-4-5-12-23-19/h1-15H/b24-14?,25-21-.
What are the key properties of 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 435.35 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2455204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).