2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C22H26N4O3S — CID 27370381

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCCN4CCCC4=O)csc3n2)cc1
InChIInChI=1S/C22H26N4O3S/c1-2-29-18-8-6-16(7-9-18)19-14-26-17(15-30-22(26)24-19)13-20(27)23-10-4-12-25-11-3-5-21(25)28/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,27)
InChIKeyNRPWZOOFWIEQJW-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.13
Rot. Bonds9

About 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 27370381) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID27370381
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCCN4CCCC4=O)csc3n2)cc1
InChIInChI=1S/C22H26N4O3S/c1-2-29-18-8-6-16(7-9-18)19-14-26-17(15-30-22(26)24-19)13-20(27)23-10-4-12-25-11-3-5-21(25)28/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,27)
InChIKeyNRPWZOOFWIEQJW-UHFFFAOYSA-N
XLogP3.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 27370381) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCCCN4CCCC4=O)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is NRPWZOOFWIEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-2-29-18-8-6-16(7-9-18)19-14-26-17(15-30-22(26)24-19)13-20(27)23-10-4-12-25-11-3-5-21(25)28/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,27).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 27370381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).