4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C24H24N4O4S — CID 57105498

IUPAC4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESC=C(NOCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cn(C)c(-c2ccccc2)n1
InChIInChI=1S/C24H24N4O4S/c1-16(20-15-28(2)22(25-20)18-6-4-3-5-7-18)27-32-13-12-31-19-10-8-17(9-11-19)14-21-23(29)26-24(30)33-21/h3-11,15,27,29H,1,12-14H2,2H3,(H,26,30)
InChIKeyONXWPBDMLYZQCM-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.70
Rot. Bonds10

About 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 57105498) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID57105498
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESC=C(NOCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cn(C)c(-c2ccccc2)n1
InChIInChI=1S/C24H24N4O4S/c1-16(20-15-28(2)22(25-20)18-6-4-3-5-7-18)27-32-13-12-31-19-10-8-17(9-11-19)14-21-23(29)26-24(30)33-21/h3-11,15,27,29H,1,12-14H2,2H3,(H,26,30)
InChIKeyONXWPBDMLYZQCM-UHFFFAOYSA-N
XLogP3.70
TPSA101.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[2-[1-[4-(1,3-benzodioxol-5-yl)phenyl]ethenylamino]oxyethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 56985533
4-hydroxy-5-[[4-[3-[(E)-1-(4-phenylphenyl)ethylideneamino]oxypropoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91931263
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
5-[[4-[2-(2,3-dihydroindol-1-yl)ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54418802
5-[[4-[3-(1,3-benzoxazol-2-yloxy)propoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54106589
4-hydroxy-5-[[4-[2-(pyridin-2-ylmethylideneamino)oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54066721
4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 57108917
[4-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 54388556
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide
CID 91934546
5-[[4-[2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 90885167

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 57105498) is 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is C=C(NOCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cn(C)c(-c2ccccc2)n1.
What is the InChIKey of 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ONXWPBDMLYZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16(20-15-28(2)22(25-20)18-6-4-3-5-7-18)27-32-13-12-31-19-10-8-17(9-11-19)14-21-23(29)26-24(30)33-21/h3-11,15,27,29H,1,12-14H2,2H3,(H,26,30).
What are the key properties of 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 464.55 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[2-[1-(1-methyl-2-phenylimidazol-4-yl)ethenylamino]oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 57105498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).