N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide

C26H28FN5OS — CID 154663082

About N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide

N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide (PubChem CID 154663082) has the molecular formula C26H28FN5OS and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide
• PubChem CID: 154663082
• Molecular Formula: C26H28FN5OS
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.20
• IUPAC Name: N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide
• SMILES: O=C(NC1CC(CCN2CCN(c3nsc4cc(F)ccc34)CC2)C1)c1cc2ccccc2[nH]1
• InChI: InChI=1S/C26H28FN5OS/c27-19-5-6-21-24(16-19)34-30-25(21)32-11-9-31(10-12-32)8-7-17-13-20(14-17)28-26(33)23-15-18-3-1-2-4-22(18)29-23/h1-6,15-17,20,29H,7-14H2,(H,28,33)
• InChIKey: IRNYRFYVMRRBRF-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 64.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide (CID 154663082) is N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide is O=C(NC1CC(CCN2CCN(c3nsc4cc(F)ccc34)CC2)C1)c1cc2ccccc2[nH]1.

What is the InChIKey of N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide?

The InChIKey is IRNYRFYVMRRBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5OS/c27-19-5-6-21-24(16-19)34-30-25(21)32-11-9-31(10-12-32)8-7-17-13-20(14-17)28-26(33)23-15-18-3-1-2-4-22(18)29-23/h1-6,15-17,20,29H,7-14H2,(H,28,33).

What are the key properties of N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide?

N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclobutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 154663082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).