1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

C19H21N5OS — CID 72934015

About 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 72934015) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 72934015
• Molecular Formula: C19H21N5OS
• Molecular Weight: 367.48 g/mol
• Exact Mass: 367.15
• IUPAC Name: 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
• SMILES: CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc3ncsc3c1)CC2
• InChI: InChI=1S/C19H21N5OS/c1-23-7-4-15-17(21-11-20-15)19(23)5-8-24(9-6-19)18(25)13-2-3-14-16(10-13)26-12-22-14/h2-3,10-12H,4-9H2,1H3,(H,20,21)
• InChIKey: GBSCBGFWDJTAQQ-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.48
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (CID 72934015) is 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc3ncsc3c1)CC2.

What is the InChIKey of 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is GBSCBGFWDJTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-23-7-4-15-17(21-11-20-15)19(23)5-8-24(9-6-19)18(25)13-2-3-14-16(10-13)26-12-22-14/h2-3,10-12H,4-9H2,1H3,(H,20,21).

What are the key properties of 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?

1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 367.48 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 72934015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).