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

C17H13BrFN3S — CID 2339862

IUPAC4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccc(Br)c2)n1N=Cc1ccccc1F
InChIInChI=1S/C17H13BrFN3S/c1-20-17-22(21-10-13-5-2-3-8-15(13)19)16(11-23-17)12-6-4-7-14(18)9-12/h2-11H,1H3/b20-17-,21-10?
InChIKeyWNRASMSMRDELIM-GTAFPLHQSA-N
MW390.28 g/mol
LogP4.53
Rot. Bonds3

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

4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 2339862) has the molecular formula C17H13BrFN3S and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID2339862
Molecular FormulaC17H13BrFN3S
Molecular Weight390.28 g/mol
Exact Mass389.00
IUPAC Name4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccc(Br)c2)n1N=Cc1ccccc1F
InChIInChI=1S/C17H13BrFN3S/c1-20-17-22(21-10-13-5-2-3-8-15(13)19)16(11-23-17)12-6-4-7-14(18)9-12/h2-11H,1H3/b20-17-,21-10?
InChIKeyWNRASMSMRDELIM-GTAFPLHQSA-N
XLogP4.53
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 2339862) is 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2cccc(Br)c2)n1N=Cc1ccccc1F.
What is the InChIKey of 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is WNRASMSMRDELIM-GTAFPLHQSA-N. The full InChI is InChI=1S/C17H13BrFN3S/c1-20-17-22(21-10-13-5-2-3-8-15(13)19)16(11-23-17)12-6-4-7-14(18)9-12/h2-11H,1H3/b20-17-,21-10?.
What are the key properties of 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 390.28 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2339862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).