N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride

C20H19ClN4S2 — CID 69322196

About N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride

N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride (PubChem CID 69322196) has the molecular formula C20H19ClN4S2 and a molecular weight of 414.99 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride.

Molecular Properties

• Compound Name: N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
• PubChem CID: 69322196
• Molecular Formula: C20H19ClN4S2
• Molecular Weight: 414.99 g/mol
• Exact Mass: 414.07
• IUPAC Name: N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
• SMILES: CC(C)(C)Nc1c(-c2ccc(C#Cc3cccs3)s2)nc2cnccn12.Cl
• InChI: InChI=1S/C20H18N4S2.ClH/c1-20(2,3)23-19-18(22-17-13-21-10-11-24(17)19)16-9-8-15(26-16)7-6-14-5-4-12-25-14;/h4-5,8-13,23H,1-3H3;1H
• InChIKey: WSRFUOVHRLLECR-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.99
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

The IUPAC name of N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride (CID 69322196) is N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride.

What is the SMILES notation for N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

The canonical SMILES for N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride is CC(C)(C)Nc1c(-c2ccc(C#Cc3cccs3)s2)nc2cnccn12.Cl.

What is the InChIKey of N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

The InChIKey is WSRFUOVHRLLECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S2.ClH/c1-20(2,3)23-19-18(22-17-13-21-10-11-24(17)19)16-9-8-15(26-16)7-6-14-5-4-12-25-14;/h4-5,8-13,23H,1-3H3;1H.

What are the key properties of N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride?

N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride has a molecular weight of 414.99 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride is sourced from PubChem (CID 69322196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).