4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide

C22H20N4O3S — CID 27370382

IUPAC4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(N)=O)cc4)csc3n2)cc1
InChIInChI=1S/C22H20N4O3S/c1-2-29-18-9-5-14(6-10-18)19-12-26-17(13-30-22(26)25-19)11-20(27)24-16-7-3-15(4-8-16)21(23)28/h3-10,12-13H,2,11H2,1H3,(H2,23,28)(H,24,27)
InChIKeyZACXIYSSWRXOBE-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.74
Rot. Bonds7

About 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide

4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide (PubChem CID 27370382) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
PubChem CID27370382
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(N)=O)cc4)csc3n2)cc1
InChIInChI=1S/C22H20N4O3S/c1-2-29-18-9-5-14(6-10-18)19-12-26-17(13-30-22(26)25-19)11-20(27)24-16-7-3-15(4-8-16)21(23)28/h3-10,12-13H,2,11H2,1H3,(H2,23,28)(H,24,27)
InChIKeyZACXIYSSWRXOBE-UHFFFAOYSA-N
XLogP3.74
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide (CID 27370382) is 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide is CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(N)=O)cc4)csc3n2)cc1.
What is the InChIKey of 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
The InChIKey is ZACXIYSSWRXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-2-29-18-9-5-14(6-10-18)19-12-26-17(13-30-22(26)25-19)11-20(27)24-16-7-3-15(4-8-16)21(23)28/h3-10,12-13H,2,11H2,1H3,(H2,23,28)(H,24,27).
What are the key properties of 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide is sourced from PubChem (CID 27370382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).