2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C22H19N5O3S — CID 55514567

About 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide

2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 55514567) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
• PubChem CID: 55514567
• Molecular Formula: C22H19N5O3S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
• SMILES: Cn1ccnc1-c1sc(NC(=O)c2ccccc2OCC(N)=O)nc1-c1ccccc1
• InChI: InChI=1S/C22H19N5O3S/c1-27-12-11-24-20(27)19-18(14-7-3-2-4-8-14)25-22(31-19)26-21(29)15-9-5-6-10-16(15)30-13-17(23)28/h2-12H,13H2,1H3,(H2,23,28)(H,25,26,29)
• InChIKey: JWSQEHZCQPAGRD-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 112.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 55514567) is 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide is Cn1ccnc1-c1sc(NC(=O)c2ccccc2OCC(N)=O)nc1-c1ccccc1.

What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?

The InChIKey is JWSQEHZCQPAGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-27-12-11-24-20(27)19-18(14-7-3-2-4-8-14)25-22(31-19)26-21(29)15-9-5-6-10-16(15)30-13-17(23)28/h2-12H,13H2,1H3,(H2,23,28)(H,25,26,29).

What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide?

2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55514567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).