2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide

C17H24N4O2S — CID 158201595

About 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide

2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide (PubChem CID 158201595) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide
• PubChem CID: 158201595
• Molecular Formula: C17H24N4O2S
• Molecular Weight: 348.47 g/mol
• Exact Mass: 348.16
• IUPAC Name: 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide
• SMILES: Cc1ccc2nc(NC(=O)CN(C)C(=O)CNC(C)(C)C)sc2c1
• InChI: InChI=1S/C17H24N4O2S/c1-11-6-7-12-13(8-11)24-16(19-12)20-14(22)10-21(5)15(23)9-18-17(2,3)4/h6-8,18H,9-10H2,1-5H3,(H,19,20,22)
• InChIKey: GAZQSHZFBDFJFZ-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide?

The IUPAC name of 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide (CID 158201595) is 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide.

What is the SMILES notation for 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide?

The canonical SMILES for 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide is Cc1ccc2nc(NC(=O)CN(C)C(=O)CNC(C)(C)C)sc2c1.

What is the InChIKey of 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide?

The InChIKey is GAZQSHZFBDFJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-6-7-12-13(8-11)24-16(19-12)20-14(22)10-21(5)15(23)9-18-17(2,3)4/h6-8,18H,9-10H2,1-5H3,(H,19,20,22).

What are the key properties of 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide?

2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 158201595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).