3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C21H22N4O3S — CID 34444486

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 34444486) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
• PubChem CID: 34444486
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)Nc3ccc(N4CCOCC4)nc3)c2)cs1
• InChI: InChI=1S/C21H22N4O3S/c1-15-23-18(14-29-15)13-28-19-4-2-3-16(11-19)21(26)24-17-5-6-20(22-12-17)25-7-9-27-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,26)
• InChIKey: SCHFUSVAFNUTPQ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 34444486) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is Cc1nc(COc2cccc(C(=O)Nc3ccc(N4CCOCC4)nc3)c2)cs1.

What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

The InChIKey is SCHFUSVAFNUTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15-23-18(14-29-15)13-28-19-4-2-3-16(11-19)21(26)24-17-5-6-20(22-12-17)25-7-9-27-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,26).

What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 34444486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).