3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine

C13H13N5OS — CID 102988673

IUPAC3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine
SMILESCCOc1ccc2nc(Sc3nccnc3N)[nH]c2c1
InChIInChI=1S/C13H13N5OS/c1-2-19-8-3-4-9-10(7-8)18-13(17-9)20-12-11(14)15-5-6-16-12/h3-7H,2H2,1H3,(H2,14,15)(H,17,18)
InChIKeyLTIXSCNJBDQBSF-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.48
Rot. Bonds4

About 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine (PubChem CID 102988673) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine
PubChem CID102988673
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine
SMILESCCOc1ccc2nc(Sc3nccnc3N)[nH]c2c1
InChIInChI=1S/C13H13N5OS/c1-2-19-8-3-4-9-10(7-8)18-13(17-9)20-12-11(14)15-5-6-16-12/h3-7H,2H2,1H3,(H2,14,15)(H,17,18)
InChIKeyLTIXSCNJBDQBSF-UHFFFAOYSA-N
XLogP2.48
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 80515683
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine
CID 83267069
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylaniline;hydrate
CID 67570619
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 79080951
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
2-(3-bromo-2,2-dimethylpropyl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 65000521

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine (CID 102988673) is 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine is CCOc1ccc2nc(Sc3nccnc3N)[nH]c2c1.
What is the InChIKey of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is LTIXSCNJBDQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-19-8-3-4-9-10(7-8)18-13(17-9)20-12-11(14)15-5-6-16-12/h3-7H,2H2,1H3,(H2,14,15)(H,17,18).
What are the key properties of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine?
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 102988673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).