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

C25H18FN3OS — CID 136949088

IUPAC2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol
SMILESCc1ccc(-n2c(O)c(/C=c3\ccc4c(c3)C=CN=4)s/c2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C25H18FN3OS/c1-16-2-9-21(10-3-16)29-24(30)23(15-17-4-11-22-18(14-17)12-13-27-22)31-25(29)28-20-7-5-19(26)6-8-20/h2-15,30H,1H3/b17-15+,28-25-
InChIKeyYGDJTPBLJCICFT-ZYAJHYDUSA-N
MW427.50 g/mol
LogP4.36
Rot. Bonds3

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

2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol (PubChem CID 136949088) has the molecular formula C25H18FN3OS and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol
PubChem CID136949088
Molecular FormulaC25H18FN3OS
Molecular Weight427.50 g/mol
Exact Mass427.12
IUPAC Name2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol
SMILESCc1ccc(-n2c(O)c(/C=c3\ccc4c(c3)C=CN=4)s/c2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C25H18FN3OS/c1-16-2-9-21(10-3-16)29-24(30)23(15-17-4-11-22-18(14-17)12-13-27-22)31-25(29)28-20-7-5-19(26)6-8-20/h2-15,30H,1H3/b17-15+,28-25-
InChIKeyYGDJTPBLJCICFT-ZYAJHYDUSA-N
XLogP4.36
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol (CID 136949088) is 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol is Cc1ccc(-n2c(O)c(/C=c3\ccc4c(c3)C=CN=4)s/c2=N\c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol?
The InChIKey is YGDJTPBLJCICFT-ZYAJHYDUSA-N. The full InChI is InChI=1S/C25H18FN3OS/c1-16-2-9-21(10-3-16)29-24(30)23(15-17-4-11-22-18(14-17)12-13-27-22)31-25(29)28-20-7-5-19(26)6-8-20/h2-15,30H,1H3/b17-15+,28-25-.
What are the key properties of 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol?
2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol has a molecular weight of 427.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-5-[(E)-indol-5-ylidenemethyl]-3-(4-methylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 136949088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).