2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride

C18H29ClN6S — CID 120911881

About 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride (PubChem CID 120911881) has the molecular formula C18H29ClN6S and a molecular weight of 396.99 g/mol. Its IUPAC name is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride
• PubChem CID: 120911881
• Molecular Formula: C18H29ClN6S
• Molecular Weight: 396.99 g/mol
• Exact Mass: 396.19
• IUPAC Name: 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride
• SMILES: CC(C)N1CCc2nc(CN3CCNCC3c3nccn3C)sc2C1.Cl
• InChI: InChI=1S/C18H28N6S.ClH/c1-13(2)23-7-4-14-16(11-23)25-17(21-14)12-24-9-5-19-10-15(24)18-20-6-8-22(18)3;/h6,8,13,15,19H,4-5,7,9-12H2,1-3H3;1H
• InChIKey: OANQWESSNPPTHF-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 49.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.99
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride?

The IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride (CID 120911881) is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride.

What is the SMILES notation for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride?

The canonical SMILES for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride is CC(C)N1CCc2nc(CN3CCNCC3c3nccn3C)sc2C1.Cl.

What is the InChIKey of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride?

The InChIKey is OANQWESSNPPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6S.ClH/c1-13(2)23-7-4-14-16(11-23)25-17(21-14)12-24-9-5-19-10-15(24)18-20-6-8-22(18)3;/h6,8,13,15,19H,4-5,7,9-12H2,1-3H3;1H.

What are the key properties of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride?

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride has a molecular weight of 396.99 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 120911881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).