4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one

C20H22N2O3S — CID 123378774

IUPAC4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one
SMILESCN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-21(16-6-4-3-5-7-16)12-13-25-17-10-8-15(9-11-17)14-18-19(23)22(2)20(24)26-18/h3-11,23H,12-14H2,1-2H3
InChIKeyHRRBNGGICHRBHN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.26
Rot. Bonds7

About 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one

4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one (PubChem CID 123378774) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one
PubChem CID123378774
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one
SMILESCN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-21(16-6-4-3-5-7-16)12-13-25-17-10-8-15(9-11-17)14-18-19(23)22(2)20(24)26-18/h3-11,23H,12-14H2,1-2H3
InChIKeyHRRBNGGICHRBHN-UHFFFAOYSA-N
XLogP3.26
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
CID 169013825
4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
CID 107736710
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-hydroxy-5-[[4-[2-[1-(6-methoxy-3-pyridinyl)ethenylamino]oxyethoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 56978756
4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 54565152
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831
4-[methyl(2-phenoxyethyl)amino]benzenecarbothioamide
CID 62969319
5-[[4-[2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 90885167
2-[2-(N-methylanilino)ethoxy]pyridin-3-ol
CID 59089074
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one (CID 123378774) is 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one is CN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one?
The InChIKey is HRRBNGGICHRBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-21(16-6-4-3-5-7-16)12-13-25-17-10-8-15(9-11-17)14-18-19(23)22(2)20(24)26-18/h3-11,23H,12-14H2,1-2H3.
What are the key properties of 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one?
4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one has a molecular weight of 370.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 123378774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).