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

C20H18N4S2 — CID 69322640

IUPACN-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc(C#Cc3ccsc3)s2)nc2cnccn12
InChIInChI=1S/C20H18N4S2/c1-20(2,3)23-19-18(22-17-12-21-9-10-24(17)19)16-7-6-15(26-16)5-4-14-8-11-25-13-14/h6-13,23H,1-3H3
InChIKeyJVACDXNTIRHCCU-UHFFFAOYSA-N
MW378.53 g/mol
LogP5.13
Rot. Bonds2

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

N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 69322640) has the molecular formula C20H18N4S2 and a molecular weight of 378.53 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID69322640
Molecular FormulaC20H18N4S2
Molecular Weight378.53 g/mol
Exact Mass378.10
IUPAC NameN-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc(C#Cc3ccsc3)s2)nc2cnccn12
InChIInChI=1S/C20H18N4S2/c1-20(2,3)23-19-18(22-17-12-21-9-10-24(17)19)16-7-6-15(26-16)5-4-14-8-11-25-13-14/h6-13,23H,1-3H3
InChIKeyJVACDXNTIRHCCU-UHFFFAOYSA-N
XLogP5.13
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (CID 69322640) is N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is CC(C)(C)Nc1c(-c2ccc(C#Cc3ccsc3)s2)nc2cnccn12.
What is the InChIKey of N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is JVACDXNTIRHCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S2/c1-20(2,3)23-19-18(22-17-12-21-9-10-24(17)19)16-7-6-15(26-16)5-4-14-8-11-25-13-14/h6-13,23H,1-3H3.
What are the key properties of N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 378.53 g/mol, XLogP of 5.13, 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-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 69322640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).