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

C20H16N4O2S — CID 7522512

IUPAC4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C20H16N4O2S/c21-19(26)14-6-8-15(9-7-14)22-18(25)10-16-12-27-20-23-17(11-24(16)20)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,26)(H,22,25)
InChIKeyMNBZJHBJRUNIRN-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.34
Rot. Bonds5

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

4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide (PubChem CID 7522512) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide
PubChem CID7522512
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C20H16N4O2S/c21-19(26)14-6-8-15(9-7-14)22-18(25)10-16-12-27-20-23-17(11-24(16)20)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,26)(H,22,25)
InChIKeyMNBZJHBJRUNIRN-UHFFFAOYSA-N
XLogP3.34
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide (CID 7522512) is 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide?
The InChIKey is MNBZJHBJRUNIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-19(26)14-6-8-15(9-7-14)22-18(25)10-16-12-27-20-23-17(11-24(16)20)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,26)(H,22,25).
What are the key properties of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide?
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 7522512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).