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

C20H15F2N3OS — CID 135589557

IUPAC2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccc(F)cc1F
InChIInChI=1S/C20H15F2N3OS/c1-2-25-19(26)18(9-12-11-23-16-6-4-3-5-14(12)16)27-20(25)24-17-8-7-13(21)10-15(17)22/h3-11,26H,2H2,1H3/b12-9+,24-20+
InChIKeyXJTYMABSZIUGKG-CGJUGKPTSA-N
MW383.42 g/mol
LogP5.04
Rot. Bonds3

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

2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135589557) has the molecular formula C20H15F2N3OS and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID135589557
Molecular FormulaC20H15F2N3OS
Molecular Weight383.42 g/mol
Exact Mass383.09
IUPAC Name2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccc(F)cc1F
InChIInChI=1S/C20H15F2N3OS/c1-2-25-19(26)18(9-12-11-23-16-6-4-3-5-14(12)16)27-20(25)24-17-8-7-13(21)10-15(17)22/h3-11,26H,2H2,1H3/b12-9+,24-20+
InChIKeyXJTYMABSZIUGKG-CGJUGKPTSA-N
XLogP5.04
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol with MolForge

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Related Compounds

3-Ethyl-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135400590
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one
CID 135467632
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135467635
(5E)-3-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135467645
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
CID 135719225
(5E)-5-(1H-indol-3-ylmethylidene)-2-phenylimino-3-propan-2-yl-1,3-thiazolidin-4-one
CID 135467636
5-((1H-Indol-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
CID 349343
3-ethyl-2-(ethylimino)-5-(1H-indol-3-ylmethylene)-1,3-thiazolidin-4-one
CID 599786
3-Cyclopentyl-5-(indol-3-ylmethylene)-2-(phenylazamethylene)-1,3-thiazolidin-4-one
CID 135404030
3-Ethyl-5-(indol-3-ylidenemethyl)-2-phenylimino-1,3-thiazol-4-ol
CID 1229079
3-Ethyl-5-(indol-3-ylidenemethyl)-2-(4-methylphenyl)imino-1,3-thiazol-4-ol
CID 1229111
5-(Indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
CID 1229112

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135589557) is 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is XJTYMABSZIUGKG-CGJUGKPTSA-N. The full InChI is InChI=1S/C20H15F2N3OS/c1-2-25-19(26)18(9-12-11-23-16-6-4-3-5-14(12)16)27-20(25)24-17-8-7-13(21)10-15(17)22/h3-11,26H,2H2,1H3/b12-9+,24-20+.
What are the key properties of 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 383.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135589557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).