2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine

C16H14N4S2 — CID 95802645

IUPAC2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(-c2nc3cnccn3c2NCc2cccs2)s1
InChIInChI=1S/C16H14N4S2/c1-11-4-5-13(22-11)15-16(18-9-12-3-2-8-21-12)20-7-6-17-10-14(20)19-15/h2-8,10,18H,9H2,1H3
InChIKeyWCDUXBRMWXPURM-UHFFFAOYSA-N
MW326.45 g/mol
LogP4.44
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine

2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 95802645) has the molecular formula C16H14N4S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID95802645
Molecular FormulaC16H14N4S2
Molecular Weight326.45 g/mol
Exact Mass326.07
IUPAC Name2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(-c2nc3cnccn3c2NCc2cccs2)s1
InChIInChI=1S/C16H14N4S2/c1-11-4-5-13(22-11)15-16(18-9-12-3-2-8-21-12)20-7-6-17-10-14(20)19-15/h2-8,10,18H,9H2,1H3
InChIKeyWCDUXBRMWXPURM-UHFFFAOYSA-N
XLogP4.44
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine (CID 95802645) is 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine is Cc1ccc(-c2nc3cnccn3c2NCc2cccs2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is WCDUXBRMWXPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2/c1-11-4-5-13(22-11)15-16(18-9-12-3-2-8-21-12)20-7-6-17-10-14(20)19-15/h2-8,10,18H,9H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine?
2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 326.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 95802645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).