4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide

C26H25N3O2S — CID 57473574

About 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide

4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide (PubChem CID 57473574) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
• PubChem CID: 57473574
• Molecular Formula: C26H25N3O2S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.17
• IUPAC Name: 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
• SMILES: COC(C)c1ccc(C(=O)Nc2ccc(C)c(Cc3nc(-c4cccnc4)cs3)c2)cc1
• InChI: InChI=1S/C26H25N3O2S/c1-17-6-11-23(28-26(30)20-9-7-19(8-10-20)18(2)31-3)13-22(17)14-25-29-24(16-32-25)21-5-4-12-27-15-21/h4-13,15-16,18H,14H2,1-3H3,(H,28,30)
• InChIKey: RHVANRKAHOOKGD-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

The IUPAC name of 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide (CID 57473574) is 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

The canonical SMILES for 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide is COC(C)c1ccc(C(=O)Nc2ccc(C)c(Cc3nc(-c4cccnc4)cs3)c2)cc1.

What is the InChIKey of 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

The InChIKey is RHVANRKAHOOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-17-6-11-23(28-26(30)20-9-7-19(8-10-20)18(2)31-3)13-22(17)14-25-29-24(16-32-25)21-5-4-12-27-15-21/h4-13,15-16,18H,14H2,1-3H3,(H,28,30).

What are the key properties of 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?

4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 57473574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).