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

C24H22FN3OS — CID 135533589

IUPAC3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1c(/C=C2\C=Nc3ccccc32)s/c(=N\c2ccccc2F)n1C1CCCCC1
InChIInChI=1S/C24H22FN3OS/c25-19-11-5-7-13-21(19)27-24-28(17-8-2-1-3-9-17)23(29)22(30-24)14-16-15-26-20-12-6-4-10-18(16)20/h4-7,10-15,17,29H,1-3,8-9H2/b16-14+,27-24-
InChIKeyOEPANLZWNCVJPK-AQNRQPEUSA-N
MW419.53 g/mol
LogP6.39
Rot. Bonds3

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

3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135533589) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID135533589
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC Name3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1c(/C=C2\C=Nc3ccccc32)s/c(=N\c2ccccc2F)n1C1CCCCC1
InChIInChI=1S/C24H22FN3OS/c25-19-11-5-7-13-21(19)27-24-28(17-8-2-1-3-9-17)23(29)22(30-24)14-16-15-26-20-12-6-4-10-18(16)20/h4-7,10-15,17,29H,1-3,8-9H2/b16-14+,27-24-
InChIKeyOEPANLZWNCVJPK-AQNRQPEUSA-N
XLogP6.39
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135533589) is 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is Oc1c(/C=C2\C=Nc3ccccc32)s/c(=N\c2ccccc2F)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is OEPANLZWNCVJPK-AQNRQPEUSA-N. The full InChI is InChI=1S/C24H22FN3OS/c25-19-11-5-7-13-21(19)27-24-28(17-8-2-1-3-9-17)23(29)22(30-24)14-16-15-26-20-12-6-4-10-18(16)20/h4-7,10-15,17,29H,1-3,8-9H2/b16-14+,27-24-.
What are the key properties of 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 419.53 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135533589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).