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

C24H25N3O3S — CID 27370377

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCc4ccc(OC)cc4)csc3n2)cc1
InChIInChI=1S/C24H25N3O3S/c1-3-30-21-10-6-18(7-11-21)22-15-27-19(16-31-24(27)26-22)14-23(28)25-13-12-17-4-8-20(29-2)9-5-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28)
InChIKeyVYGKLAKVWXYQOK-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.37
Rot. Bonds9

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 27370377) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID27370377
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCc4ccc(OC)cc4)csc3n2)cc1
InChIInChI=1S/C24H25N3O3S/c1-3-30-21-10-6-18(7-11-21)22-15-27-19(16-31-24(27)26-22)14-23(28)25-13-12-17-4-8-20(29-2)9-5-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28)
InChIKeyVYGKLAKVWXYQOK-UHFFFAOYSA-N
XLogP4.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 27370377) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCCc4ccc(OC)cc4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is VYGKLAKVWXYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-3-30-21-10-6-18(7-11-21)22-15-27-19(16-31-24(27)26-22)14-23(28)25-13-12-17-4-8-20(29-2)9-5-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.37, 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-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 27370377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).