6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine

C20H26N4S2 — CID 108771860

About 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine

6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine (PubChem CID 108771860) has the molecular formula C20H26N4S2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
• PubChem CID: 108771860
• Molecular Formula: C20H26N4S2
• Molecular Weight: 386.59 g/mol
• Exact Mass: 386.16
• IUPAC Name: 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
• SMILES: CCc1ccc2nc(Nc3nc(C)c(CN4CCC(C)CC4)s3)sc2c1
• InChI: InChI=1S/C20H26N4S2/c1-4-15-5-6-16-17(11-15)25-20(22-16)23-19-21-14(3)18(26-19)12-24-9-7-13(2)8-10-24/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,22,23)
• InChIKey: QOOAQAXWFGPREM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.59
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine (CID 108771860) is 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine.

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

The canonical SMILES for 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine is CCc1ccc2nc(Nc3nc(C)c(CN4CCC(C)CC4)s3)sc2c1.

What is the InChIKey of 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The InChIKey is QOOAQAXWFGPREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S2/c1-4-15-5-6-16-17(11-15)25-20(22-16)23-19-21-14(3)18(26-19)12-24-9-7-13(2)8-10-24/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,22,23).

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

6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine has a molecular weight of 386.59 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108771860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).