2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol

C25H18FN3OS — CID 136949100

IUPAC2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1c(/C=c2\ccc3c(c2)C=CN=3)s/c(=N\Cc2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H18FN3OS/c26-20-7-9-21(10-8-20)29-24(30)23(15-18-6-11-22-19(14-18)12-13-27-22)31-25(29)28-16-17-4-2-1-3-5-17/h1-15,30H,16H2/b18-15+,28-25-
InChIKeyUJXXQWUGCUJGIH-GYPSLGRWSA-N
MW427.50 g/mol
LogP3.92
Rot. Bonds4

About 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol

2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 136949100) has the molecular formula C25H18FN3OS and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID136949100
Molecular FormulaC25H18FN3OS
Molecular Weight427.50 g/mol
Exact Mass427.12
IUPAC Name2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1c(/C=c2\ccc3c(c2)C=CN=3)s/c(=N\Cc2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H18FN3OS/c26-20-7-9-21(10-8-20)29-24(30)23(15-18-6-11-22-19(14-18)12-13-27-22)31-25(29)28-16-17-4-2-1-3-5-17/h1-15,30H,16H2/b18-15+,28-25-
InChIKeyUJXXQWUGCUJGIH-GYPSLGRWSA-N
XLogP3.92
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol (CID 136949100) is 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol is Oc1c(/C=c2\ccc3c(c2)C=CN=3)s/c(=N\Cc2ccccc2)n1-c1ccc(F)cc1.
What is the InChIKey of 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is UJXXQWUGCUJGIH-GYPSLGRWSA-N. The full InChI is InChI=1S/C25H18FN3OS/c26-20-7-9-21(10-8-20)29-24(30)23(15-18-6-11-22-19(14-18)12-13-27-22)31-25(29)28-16-17-4-2-1-3-5-17/h1-15,30H,16H2/b18-15+,28-25-.
What are the key properties of 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol?
2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 427.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-3-(4-fluorophenyl)-5-[(E)-indol-5-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 136949100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).