2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C18H20N2O4S — CID 8667804

IUPAC2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCCOC(=O)Cc2csc(N3CCCC3=O)n2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-6-15(7-5-13)23-9-10-24-17(22)11-14-12-25-18(19-14)20-8-2-3-16(20)21/h4-7,12H,2-3,8-11H2,1H3
InChIKeyBKBCRJQGDDXLCQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.74
Rot. Bonds7

About 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 8667804) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID8667804
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCCOC(=O)Cc2csc(N3CCCC3=O)n2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-6-15(7-5-13)23-9-10-24-17(22)11-14-12-25-18(19-14)20-8-2-3-16(20)21/h4-7,12H,2-3,8-11H2,1H3
InChIKeyBKBCRJQGDDXLCQ-UHFFFAOYSA-N
XLogP2.74
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 8667804) is 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is Cc1ccc(OCCOC(=O)Cc2csc(N3CCCC3=O)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is BKBCRJQGDDXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-4-6-15(7-5-13)23-9-10-24-17(22)11-14-12-25-18(19-14)20-8-2-3-16(20)21/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 360.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8667804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).