3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C22H21N5O3S — CID 55728220

About 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55728220) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
• PubChem CID: 55728220
• Molecular Formula: C22H21N5O3S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.14
• IUPAC Name: 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
• SMILES: COc1cc(C(=O)NCc2ccnc(-n3ccnc3C)c2)ccc1OCc1cscn1
• InChI: InChI=1S/C22H21N5O3S/c1-15-23-7-8-27(15)21-9-16(5-6-24-21)11-25-22(28)17-3-4-19(20(10-17)29-2)30-12-18-13-31-14-26-18/h3-10,13-14H,11-12H2,1-2H3,(H,25,28)
• InChIKey: ATNYKIJTWSJFBG-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The IUPAC name of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55728220) is 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

What is the SMILES notation for 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The canonical SMILES for 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NCc2ccnc(-n3ccnc3C)c2)ccc1OCc1cscn1.

What is the InChIKey of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The InChIKey is ATNYKIJTWSJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15-23-7-8-27(15)21-9-16(5-6-24-21)11-25-22(28)17-3-4-19(20(10-17)29-2)30-12-18-13-31-14-26-18/h3-10,13-14H,11-12H2,1-2H3,(H,25,28).

What are the key properties of 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55728220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).