4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one

C18H20N4O2S — CID 135912324

IUPAC4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
SMILESCN1CCN(Cn2c(O)c(C=C3C=Nc4ccccc43)sc2=O)CC1
InChIInChI=1S/C18H20N4O2S/c1-20-6-8-21(9-7-20)12-22-17(23)16(25-18(22)24)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,10-11,23H,6-9,12H2,1H3
InChIKeyIYWYVEDYGFFXIV-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.08
Rot. Bonds3

About 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one

4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one (PubChem CID 135912324) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
PubChem CID135912324
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
SMILESCN1CCN(Cn2c(O)c(C=C3C=Nc4ccccc43)sc2=O)CC1
InChIInChI=1S/C18H20N4O2S/c1-20-6-8-21(9-7-20)12-22-17(23)16(25-18(22)24)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,10-11,23H,6-9,12H2,1H3
InChIKeyIYWYVEDYGFFXIV-UHFFFAOYSA-N
XLogP2.08
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
CID 135460586
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
CID 4900555
1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid
CID 135678426
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
3-hexyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 135719223
3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 4898489
3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
CID 172709337

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one (CID 135912324) is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one is CN1CCN(Cn2c(O)c(C=C3C=Nc4ccccc43)sc2=O)CC1.
What is the InChIKey of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one?
The InChIKey is IYWYVEDYGFFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-20-6-8-21(9-7-20)12-22-17(23)16(25-18(22)24)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,10-11,23H,6-9,12H2,1H3.
What are the key properties of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one?
4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135912324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).