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

C23H21N3OS — CID 135648196

IUPAC3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
SMILESOc1c(/C=C2/C=Nc3ccccc32)s/c(=N\c2ccccc2)n1C1CCCC1
InChIInChI=1S/C23H21N3OS/c27-22-21(14-16-15-24-20-13-7-6-12-19(16)20)28-23(25-17-8-2-1-3-9-17)26(22)18-10-4-5-11-18/h1-3,6-9,12-15,18,27H,4-5,10-11H2/b16-14-,25-23-
InChIKeyOIYUEDDBJKAYGA-WQXUAUFSSA-N
MW387.51 g/mol
LogP5.86
Rot. Bonds3

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

3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 135648196) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

Compound Name3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
PubChem CID135648196
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
SMILESOc1c(/C=C2/C=Nc3ccccc32)s/c(=N\c2ccccc2)n1C1CCCC1
InChIInChI=1S/C23H21N3OS/c27-22-21(14-16-15-24-20-13-7-6-12-19(16)20)28-23(25-17-8-2-1-3-9-17)26(22)18-10-4-5-11-18/h1-3,6-9,12-15,18,27H,4-5,10-11H2/b16-14-,25-23-
InChIKeyOIYUEDDBJKAYGA-WQXUAUFSSA-N
XLogP5.86
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135533589
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080
5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
CID 135435743
3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135467632
3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135670347
3-cyclohexyl-2-(4-ethoxyphenyl)imino-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 135494782
2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589567
3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol
CID 137120500
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 599786
N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide
CID 137263304
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 1233465

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
The IUPAC name of 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol (CID 135648196) is 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol.
What is the SMILES notation for 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
The canonical SMILES for 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol is Oc1c(/C=C2/C=Nc3ccccc32)s/c(=N\c2ccccc2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
The InChIKey is OIYUEDDBJKAYGA-WQXUAUFSSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-22-21(14-16-15-24-20-13-7-6-12-19(16)20)28-23(25-17-8-2-1-3-9-17)26(22)18-10-4-5-11-18/h1-3,6-9,12-15,18,27H,4-5,10-11H2/b16-14-,25-23-.
What are the key properties of 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 387.51 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 135648196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).