5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one

C23H22N2O3S — CID 135968361

IUPAC5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one
SMILESCCc1cccc2c1N=C/C2=C\c1sc(=O)n(CCOc2cccc(C)c2)c1O
InChIInChI=1S/C23H22N2O3S/c1-3-16-7-5-9-19-17(14-24-21(16)19)13-20-22(26)25(23(27)29-20)10-11-28-18-8-4-6-15(2)12-18/h4-9,12-14,26H,3,10-11H2,1-2H3/b17-13+
InChIKeyNRFUITCDLKAHPL-GHRIWEEISA-N
MW406.51 g/mol
LogP4.82
Rot. Bonds6

About 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one

5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 135968361) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one
PubChem CID135968361
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one
SMILESCCc1cccc2c1N=C/C2=C\c1sc(=O)n(CCOc2cccc(C)c2)c1O
InChIInChI=1S/C23H22N2O3S/c1-3-16-7-5-9-19-17(14-24-21(16)19)13-20-22(26)25(23(27)29-20)10-11-28-18-8-4-6-15(2)12-18/h4-9,12-14,26H,3,10-11H2,1-2H3/b17-13+
InChIKeyNRFUITCDLKAHPL-GHRIWEEISA-N
XLogP4.82
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one with MolForge

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Related Compounds

4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
CID 135968452
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
N-methylmethanamine;2-[4-(3-methylphenoxy)butyl]isoindole-1,3-dione
CID 19830935
3-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile
CID 63312672
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
6-ethyl-2-methyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 28692564
(5Z)-5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 135968369
11-[2-(3-methylphenoxy)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7886064
1-[2-(3-methylphenoxy)ethyl]-5-propyltriazole-4-carbaldehyde
CID 82209076

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one (CID 135968361) is 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one is CCc1cccc2c1N=C/C2=C\c1sc(=O)n(CCOc2cccc(C)c2)c1O.
What is the InChIKey of 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is NRFUITCDLKAHPL-GHRIWEEISA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-16-7-5-9-19-17(14-24-21(16)19)13-20-22(26)25(23(27)29-20)10-11-28-18-8-4-6-15(2)12-18/h4-9,12-14,26H,3,10-11H2,1-2H3/b17-13+.
What are the key properties of 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one?
5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 406.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135968361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).