2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C24H29N5O2S — CID 1199695

About 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 1199695) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 1199695
• Molecular Formula: C24H29N5O2S
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.20
• IUPAC Name: 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• SMILES: CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)NCc3ccccn3)cs2)C(C)C)cc1
• InChI: InChI=1S/C24H29N5O2S/c1-16(2)18-8-10-19(11-9-18)27-24(31)29(17(3)4)14-22-28-21(15-32-22)23(30)26-13-20-7-5-6-12-25-20/h5-12,15-17H,13-14H2,1-4H3,(H,26,30)(H,27,31)
• InChIKey: GEHNIENGRQLDRH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.60
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 1199695) is 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)NCc3ccccn3)cs2)C(C)C)cc1.

What is the InChIKey of 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The InChIKey is GEHNIENGRQLDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-16(2)18-8-10-19(11-9-18)27-24(31)29(17(3)4)14-22-28-21(15-32-22)23(30)26-13-20-7-5-6-12-25-20/h5-12,15-17H,13-14H2,1-4H3,(H,26,30)(H,27,31).

What are the key properties of 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?

2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1199695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).