2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide

C11H14N4OS — CID 99839221

IUPAC2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn2ccnc12
InChIInChI=1S/C11H14N4OS/c1-2-3-12-9(16)8-17-11-10-13-4-6-15(10)7-5-14-11/h4-7H,2-3,8H2,1H3,(H,12,16)
InChIKeyOPJKQIRACZHXGH-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.35
Rot. Bonds5

About 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide

2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide (PubChem CID 99839221) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide
PubChem CID99839221
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn2ccnc12
InChIInChI=1S/C11H14N4OS/c1-2-3-12-9(16)8-17-11-10-13-4-6-15(10)7-5-14-11/h4-7H,2-3,8H2,1H3,(H,12,16)
InChIKeyOPJKQIRACZHXGH-UHFFFAOYSA-N
XLogP1.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide?
The IUPAC name of 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide (CID 99839221) is 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide.
What is the SMILES notation for 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide?
The canonical SMILES for 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide is CCCNC(=O)CSc1nccn2ccnc12.
What is the InChIKey of 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide?
The InChIKey is OPJKQIRACZHXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-3-12-9(16)8-17-11-10-13-4-6-15(10)7-5-14-11/h4-7H,2-3,8H2,1H3,(H,12,16).
What are the key properties of 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide?
2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide has a molecular weight of 250.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyrazin-8-ylsulfanyl-N-propylacetamide is sourced from PubChem (CID 99839221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).