4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide

C24H28N4OS — CID 132772107

About 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide

4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 132772107) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 132772107
• Molecular Formula: C24H28N4OS
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.20
• IUPAC Name: 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)Nc2nc(C3CCCN3Cc3ccccn3)cs2)cc1
• InChI: InChI=1S/C24H28N4OS/c1-24(2,3)18-11-9-17(10-12-18)22(29)27-23-26-20(16-30-23)21-8-6-14-28(21)15-19-7-4-5-13-25-19/h4-5,7,9-13,16,21H,6,8,14-15H2,1-3H3,(H,26,27,29)
• InChIKey: DVKFENWHUYXDTD-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide (CID 132772107) is 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2nc(C3CCCN3Cc3ccccn3)cs2)cc1.

What is the InChIKey of 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is DVKFENWHUYXDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-24(2,3)18-11-9-17(10-12-18)22(29)27-23-26-20(16-30-23)21-8-6-14-28(21)15-19-7-4-5-13-25-19/h4-5,7,9-13,16,21H,6,8,14-15H2,1-3H3,(H,26,27,29).

What are the key properties of 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide?

4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 132772107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).