4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide

C22H25N3O2S — CID 159526318

About 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide

4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 159526318) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide
• PubChem CID: 159526318
• Molecular Formula: C22H25N3O2S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.17
• IUPAC Name: 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Cc1nc(-c2cnccc2C(C)C)cs1
• InChI: InChI=1S/C22H25N3O2S/c1-13(2)17-7-8-24-11-18(17)19-12-28-21(25-19)10-16-9-15(22(23)26)5-6-20(16)27-14(3)4/h5-9,11-14H,10H2,1-4H3,(H2,23,26)
• InChIKey: AZVHYHZZIDKJNZ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 78.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide?

The IUPAC name of 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 159526318) is 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide.

What is the SMILES notation for 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide?

The canonical SMILES for 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide is CC(C)Oc1ccc(C(N)=O)cc1Cc1nc(-c2cnccc2C(C)C)cs1.

What is the InChIKey of 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide?

The InChIKey is AZVHYHZZIDKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-13(2)17-7-8-24-11-18(17)19-12-28-21(25-19)10-16-9-15(22(23)26)5-6-20(16)27-14(3)4/h5-9,11-14H,10H2,1-4H3,(H2,23,26).

What are the key properties of 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide?

4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 395.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 159526318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).