2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide

C15H18N4OS — CID 106679325

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSc2nccnc2N)cc1
InChIInChI=1S/C15H18N4OS/c1-2-3-11-4-6-12(7-5-11)19-13(20)10-21-15-14(16)17-8-9-18-15/h4-9H,2-3,10H2,1H3,(H2,16,17)(H,19,20)
InChIKeyCSMNNMVBEAMCKU-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.74
Rot. Bonds6

About 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide

2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide (PubChem CID 106679325) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
PubChem CID106679325
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSc2nccnc2N)cc1
InChIInChI=1S/C15H18N4OS/c1-2-3-11-4-6-12(7-5-11)19-13(20)10-21-15-14(16)17-8-9-18-15/h4-9H,2-3,10H2,1H3,(H2,16,17)(H,19,20)
InChIKeyCSMNNMVBEAMCKU-UHFFFAOYSA-N
XLogP2.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 106679046
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43301596
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43249738
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 106679306
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 106679095
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 106679065
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
CID 66103845
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide (CID 106679325) is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CSc2nccnc2N)cc1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide?
The InChIKey is CSMNNMVBEAMCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-3-11-4-6-12(7-5-11)19-13(20)10-21-15-14(16)17-8-9-18-15/h4-9H,2-3,10H2,1H3,(H2,16,17)(H,19,20).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 106679325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).