[4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid

C22H24N4O3S — CID 155026568

About [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid

[4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid (PubChem CID 155026568) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid
• PubChem CID: 155026568
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid
• SMILES: CC(C)(C)CC(NC(=O)O)C(=O)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1
• InChI: InChI=1S/C22H24N4O3S/c1-22(2,3)12-17(25-21(28)29)19(27)26-20-24-18(13-30-20)16-6-4-5-15(11-16)14-7-9-23-10-8-14/h4-11,13,17,25H,12H2,1-3H3,(H,28,29)(H,24,26,27)
• InChIKey: RXBJALDKXBEDBE-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 104.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid?

The IUPAC name of [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid (CID 155026568) is [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid.

What is the SMILES notation for [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid?

The canonical SMILES for [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid is CC(C)(C)CC(NC(=O)O)C(=O)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1.

What is the InChIKey of [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid?

The InChIKey is RXBJALDKXBEDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-22(2,3)12-17(25-21(28)29)19(27)26-20-24-18(13-30-20)16-6-4-5-15(11-16)14-7-9-23-10-8-14/h4-11,13,17,25H,12H2,1-3H3,(H,28,29)(H,24,26,27).

What are the key properties of [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid?

[4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid has a molecular weight of 424.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid is sourced from PubChem (CID 155026568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).