3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine

C19H17BrFN3OS — CID 2448034

IUPAC3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccccc1Br
InChIInChI=1S/C19H17BrFN3OS/c1-25-11-10-22-19-24(23-12-15-4-2-3-5-17(15)20)18(13-26-19)14-6-8-16(21)9-7-14/h2-9,12-13H,10-11H2,1H3/b22-19-,23-12?
InChIKeyFYDRKLSGNBUKJM-YVGVNDFSSA-N
MW434.33 g/mol
LogP4.55
Rot. Bonds6

About 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine

3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine (PubChem CID 2448034) has the molecular formula C19H17BrFN3OS and a molecular weight of 434.33 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
PubChem CID2448034
Molecular FormulaC19H17BrFN3OS
Molecular Weight434.33 g/mol
Exact Mass433.03
IUPAC Name3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccccc1Br
InChIInChI=1S/C19H17BrFN3OS/c1-25-11-10-22-19-24(23-12-15-4-2-3-5-17(15)20)18(13-26-19)14-6-8-16(21)9-7-14/h2-9,12-13H,10-11H2,1H3/b22-19-,23-12?
InChIKeyFYDRKLSGNBUKJM-YVGVNDFSSA-N
XLogP4.55
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine (CID 2448034) is 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The InChIKey is FYDRKLSGNBUKJM-YVGVNDFSSA-N. The full InChI is InChI=1S/C19H17BrFN3OS/c1-25-11-10-22-19-24(23-12-15-4-2-3-5-17(15)20)18(13-26-19)14-6-8-16(21)9-7-14/h2-9,12-13H,10-11H2,1H3/b22-19-,23-12?.
What are the key properties of 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine has a molecular weight of 434.33 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2448034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).