[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate

C21H21NO5S — CID 46545324

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H21NO5S/c1-14(27-19-10-8-18(25-3)9-11-19)21(23)26-12-16-13-28-20(22-16)15-4-6-17(24-2)7-5-15/h4-11,13-14H,12H2,1-3H3
InChIKeyHSGPHZZQNPQEOW-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.34
Rot. Bonds8

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate (PubChem CID 46545324) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
PubChem CID46545324
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H21NO5S/c1-14(27-19-10-8-18(25-3)9-11-19)21(23)26-12-16-13-28-20(22-16)15-4-6-17(24-2)7-5-15/h4-11,13-14H,12H2,1-3H3
InChIKeyHSGPHZZQNPQEOW-UHFFFAOYSA-N
XLogP4.34
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984266
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
2-(4-tert-butylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 23613110
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
CID 55323727
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)benzoate
CID 7234387

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate (CID 46545324) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate?
The InChIKey is HSGPHZZQNPQEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-14(27-19-10-8-18(25-3)9-11-19)21(23)26-12-16-13-28-20(22-16)15-4-6-17(24-2)7-5-15/h4-11,13-14H,12H2,1-3H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate has a molecular weight of 399.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 46545324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).