6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine

C19H24N4S2 — CID 108778408

About 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine

6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine (PubChem CID 108778408) has the molecular formula C19H24N4S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
• PubChem CID: 108778408
• Molecular Formula: C19H24N4S2
• Molecular Weight: 372.56 g/mol
• Exact Mass: 372.14
• IUPAC Name: 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
• SMILES: CCc1ccc2nc(Nc3ncc(CN4CCCCC4C)s3)sc2c1
• InChI: InChI=1S/C19H24N4S2/c1-3-14-7-8-16-17(10-14)25-19(21-16)22-18-20-11-15(24-18)12-23-9-5-4-6-13(23)2/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,20,21,22)
• InChIKey: XFJKTWDCKLBMNA-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The IUPAC name of 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine (CID 108778408) is 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The canonical SMILES for 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine is CCc1ccc2nc(Nc3ncc(CN4CCCCC4C)s3)sc2c1.

What is the InChIKey of 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The InChIKey is XFJKTWDCKLBMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S2/c1-3-14-7-8-16-17(10-14)25-19(21-16)22-18-20-11-15(24-18)12-23-9-5-4-6-13(23)2/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,20,21,22).

What are the key properties of 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine has a molecular weight of 372.56 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108778408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).