6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine

C13H12N4OS — CID 80893597

IUPAC6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nc3ccccc3o2)n1
InChIInChI=1S/C13H12N4OS/c1-2-15-11-7-14-8-12(17-11)19-13-16-9-5-3-4-6-10(9)18-13/h3-8H,2H2,1H3,(H,15,17)
InChIKeyDMYPMXTUYWKWNN-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.20
Rot. Bonds4

About 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine

6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine (PubChem CID 80893597) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine
PubChem CID80893597
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nc3ccccc3o2)n1
InChIInChI=1S/C13H12N4OS/c1-2-15-11-7-14-8-12(17-11)19-13-16-9-5-3-4-6-10(9)18-13/h3-8H,2H2,1H3,(H,15,17)
InChIKeyDMYPMXTUYWKWNN-UHFFFAOYSA-N
XLogP3.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-amine
CID 106928438
6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 80892797
6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937330
6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine
CID 62886533
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
CID 80890787
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 62483848
N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine
CID 80885114
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylethanamine
CID 53211552
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
3-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropan-1-amine
CID 61386489
2-[6-(ethylamino)pyrazin-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892748

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine (CID 80893597) is 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine is CCNc1cncc(Sc2nc3ccccc3o2)n1.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine?
The InChIKey is DMYPMXTUYWKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-2-15-11-7-14-8-12(17-11)19-13-16-9-5-3-4-6-10(9)18-13/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine?
6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 80893597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).