4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C20H15N5O2S — CID 162380319

About 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 162380319) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 162380319
• Molecular Formula: C20H15N5O2S
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.09
• IUPAC Name: 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1ccc2nc(N(Cc3cnc[nH]3)C(=O)c3ccc(C#N)cc3)sc2c1
• InChI: InChI=1S/C20H15N5O2S/c1-27-16-6-7-17-18(8-16)28-20(24-17)25(11-15-10-22-12-23-15)19(26)14-4-2-13(9-21)3-5-14/h2-8,10,12H,11H2,1H3,(H,22,23)
• InChIKey: CRAGNNRANZWQIR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 94.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 162380319) is 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(N(Cc3cnc[nH]3)C(=O)c3ccc(C#N)cc3)sc2c1.

What is the InChIKey of 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is CRAGNNRANZWQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-27-16-6-7-17-18(8-16)28-20(24-17)25(11-15-10-22-12-23-15)19(26)14-4-2-13(9-21)3-5-14/h2-8,10,12H,11H2,1H3,(H,22,23).

What are the key properties of 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 389.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-(1H-imidazol-5-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 162380319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).