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

C20H15ClN4O2S — CID 7522346

IUPAC4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
InChIInChI=1S/C20H15ClN4O2S/c21-14-5-1-12(2-6-14)17-10-25-16(11-28-20(25)24-17)9-18(26)23-15-7-3-13(4-8-15)19(22)27/h1-8,10-11H,9H2,(H2,22,27)(H,23,26)
InChIKeyDOZVTSQENZNEOK-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.00
Rot. Bonds5

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

4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide (PubChem CID 7522346) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
PubChem CID7522346
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
InChIInChI=1S/C20H15ClN4O2S/c21-14-5-1-12(2-6-14)17-10-25-16(11-28-20(25)24-17)9-18(26)23-15-7-3-13(4-8-15)19(22)27/h1-8,10-11H,9H2,(H2,22,27)(H,23,26)
InChIKeyDOZVTSQENZNEOK-UHFFFAOYSA-N
XLogP4.00
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-pyridin-3-ylacetamide
CID 121038458
N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121038566
4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
CID 121038565
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038525
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
CID 30939832
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide (CID 7522346) is 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1.
What is the InChIKey of 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
The InChIKey is DOZVTSQENZNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c21-14-5-1-12(2-6-14)17-10-25-16(11-28-20(25)24-17)9-18(26)23-15-7-3-13(4-8-15)19(22)27/h1-8,10-11H,9H2,(H2,22,27)(H,23,26).
What are the key properties of 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide?
4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide has a molecular weight of 410.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide is sourced from PubChem (CID 7522346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).