2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate

C23H20N2O5S — CID 27937229

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate
SMILESCc1ccc(OCc2nc(C)c(C(=O)OCCN3C(=O)c4ccccc4C3=O)s2)cc1
InChIInChI=1S/C23H20N2O5S/c1-14-7-9-16(10-8-14)30-13-19-24-15(2)20(31-19)23(28)29-12-11-25-21(26)17-5-3-4-6-18(17)22(25)27/h3-10H,11-13H2,1-2H3
InChIKeyIBLSRXUBEUJIOH-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.79
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate (PubChem CID 27937229) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate
PubChem CID27937229
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate
SMILESCc1ccc(OCc2nc(C)c(C(=O)OCCN3C(=O)c4ccccc4C3=O)s2)cc1
InChIInChI=1S/C23H20N2O5S/c1-14-7-9-16(10-8-14)30-13-19-24-15(2)20(31-19)23(28)29-12-11-25-21(26)17-5-3-4-6-18(17)22(25)27/h3-10H,11-13H2,1-2H3
InChIKeyIBLSRXUBEUJIOH-UHFFFAOYSA-N
XLogP3.79
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)propyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116781
4-methyl-2-[(4-phenylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 4980797
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
CID 7211840
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanone
CID 27846772
2-(1,3-dioxoisoindol-2-yl)ethyl 2,4-dimethylbenzoate
CID 2544102
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2-methylpropoxy)benzoate
CID 2680543
N,4-dimethyl-2-[(4-methylphenoxy)methyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 18114084
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate (CID 27937229) is 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate is Cc1ccc(OCc2nc(C)c(C(=O)OCCN3C(=O)c4ccccc4C3=O)s2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate?
The InChIKey is IBLSRXUBEUJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-14-7-9-16(10-8-14)30-13-19-24-15(2)20(31-19)23(28)29-12-11-25-21(26)17-5-3-4-6-18(17)22(25)27/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate has a molecular weight of 436.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27937229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).