2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

C12H16N4OS — CID 106678756

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nccnc1N
InChIInChI=1S/C12H16N4OS/c1-3-7-16(8-4-2)10(17)9-18-12-11(13)14-5-6-15-12/h3-6H,1-2,7-9H2,(H2,13,14)
InChIKeyNTYNCUYTKRGPQS-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.35
Rot. Bonds7

About 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 106678756) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID106678756
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nccnc1N
InChIInChI=1S/C12H16N4OS/c1-3-7-16(8-4-2)10(17)9-18-12-11(13)14-5-6-15-12/h3-6H,1-2,7-9H2,(H2,13,14)
InChIKeyNTYNCUYTKRGPQS-UHFFFAOYSA-N
XLogP1.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 106678756) is 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nccnc1N.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is NTYNCUYTKRGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-7-16(8-4-2)10(17)9-18-12-11(13)14-5-6-15-12/h3-6H,1-2,7-9H2,(H2,13,14).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 106678756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).