N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

C23H24N4O2S — CID 108809057

About N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108809057) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
• PubChem CID: 108809057
• Molecular Formula: C23H24N4O2S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.16
• IUPAC Name: N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
• SMILES: CC1CCN(Cc2ccc3nc(NC(=O)c4ccc5c(c4)CC(=O)N5)sc3c2)CC1
• InChI: InChI=1S/C23H24N4O2S/c1-14-6-8-27(9-7-14)13-15-2-4-19-20(10-15)30-23(25-19)26-22(29)16-3-5-18-17(11-16)12-21(28)24-18/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,24,28)(H,25,26,29)
• InChIKey: YFYYNRWHZFXNJG-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?

The IUPAC name of N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108809057) is N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.

What is the SMILES notation for N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?

The canonical SMILES for N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is CC1CCN(Cc2ccc3nc(NC(=O)c4ccc5c(c4)CC(=O)N5)sc3c2)CC1.

What is the InChIKey of N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?

The InChIKey is YFYYNRWHZFXNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-14-6-8-27(9-7-14)13-15-2-4-19-20(10-15)30-23(25-19)26-22(29)16-3-5-18-17(11-16)12-21(28)24-18/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,24,28)(H,25,26,29).

What are the key properties of N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?

N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108809057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).