2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

C21H32N4O2S — CID 135350796

About 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 135350796) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
• PubChem CID: 135350796
• Molecular Formula: C21H32N4O2S
• Molecular Weight: 404.58 g/mol
• Exact Mass: 404.22
• IUPAC Name: 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
• SMILES: CCC(C)C(CN)NC(=O)C(Cc1nc2ccc(C(C)C)cc2s1)NC(C)=O
• InChI: InChI=1S/C21H32N4O2S/c1-6-13(4)18(11-22)25-21(27)17(23-14(5)26)10-20-24-16-8-7-15(12(2)3)9-19(16)28-20/h7-9,12-13,17-18H,6,10-11,22H2,1-5H3,(H,23,26)(H,25,27)
• InChIKey: MOWOLGILOKOHOX-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 97.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.58
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?

The IUPAC name of 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (CID 135350796) is 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

What is the SMILES notation for 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?

The canonical SMILES for 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is CCC(C)C(CN)NC(=O)C(Cc1nc2ccc(C(C)C)cc2s1)NC(C)=O.

What is the InChIKey of 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?

The InChIKey is MOWOLGILOKOHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-6-13(4)18(11-22)25-21(27)17(23-14(5)26)10-20-24-16-8-7-15(12(2)3)9-19(16)28-20/h7-9,12-13,17-18H,6,10-11,22H2,1-5H3,(H,23,26)(H,25,27).

What are the key properties of 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?

2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 404.58 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-(1-amino-3-methylpentan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 135350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).