4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine

C20H14BrFN2OS — CID 23876407

IUPAC4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESFc1ccccc1/N=c1\scc(-c2ccccc2Br)n1Cc1ccco1
InChIInChI=1S/C20H14BrFN2OS/c21-16-8-2-1-7-15(16)19-13-26-20(23-18-10-4-3-9-17(18)22)24(19)12-14-6-5-11-25-14/h1-11,13H,12H2/b23-20-
InChIKeyYLSJWCWKCBJTQH-ATJXCDBQSA-N
MW429.31 g/mol
LogP5.99
Rot. Bonds4

About 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine

4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 23876407) has the molecular formula C20H14BrFN2OS and a molecular weight of 429.31 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine
PubChem CID23876407
Molecular FormulaC20H14BrFN2OS
Molecular Weight429.31 g/mol
Exact Mass428.00
IUPAC Name4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESFc1ccccc1/N=c1\scc(-c2ccccc2Br)n1Cc1ccco1
InChIInChI=1S/C20H14BrFN2OS/c21-16-8-2-1-7-15(16)19-13-26-20(23-18-10-4-3-9-17(18)22)24(19)12-14-6-5-11-25-14/h1-11,13H,12H2/b23-20-
InChIKeyYLSJWCWKCBJTQH-ATJXCDBQSA-N
XLogP5.99
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.31
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 1283764
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
2-[3-[2-(4-fluorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
CID 4281240
3-(furan-2-ylmethyl)-N-(2-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23906223
N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23913461
N-(4-chloro-3-fluorophenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23857350
2-bromo-4-[[2-(2-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135778689
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3650518
4-(2-bromophenyl)-N-(4-fluorophenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23769515
N-(2-fluorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23994806
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23737132

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine (CID 23876407) is 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine is Fc1ccccc1/N=c1\scc(-c2ccccc2Br)n1Cc1ccco1.
What is the InChIKey of 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is YLSJWCWKCBJTQH-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H14BrFN2OS/c21-16-8-2-1-7-15(16)19-13-26-20(23-18-10-4-3-9-17(18)22)24(19)12-14-6-5-11-25-14/h1-11,13H,12H2/b23-20-.
What are the key properties of 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine?
4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 429.31 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23876407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).