5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C18H15N5O2S2 — CID 59471703

IUPAC5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccccc3S(C)=O)cnc2N)o1
InChIInChI=1S/C18H15N5O2S2/c1-10-7-8-26-15(10)18-23-22-17(25-18)14-16(19)20-9-12(21-14)11-5-3-4-6-13(11)27(2)24/h3-9H,1-2H3,(H2,19,20)
InChIKeyNLYTWGMGIGKWPG-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.55
Rot. Bonds4

About 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59471703) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59471703
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC Name5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccccc3S(C)=O)cnc2N)o1
InChIInChI=1S/C18H15N5O2S2/c1-10-7-8-26-15(10)18-23-22-17(25-18)14-16(19)20-9-12(21-14)11-5-3-4-6-13(11)27(2)24/h3-9H,1-2H3,(H2,19,20)
InChIKeyNLYTWGMGIGKWPG-UHFFFAOYSA-N
XLogP3.55
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59471703) is 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is Cc1ccsc1-c1nnc(-c2nc(-c3ccccc3S(C)=O)cnc2N)o1.
What is the InChIKey of 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is NLYTWGMGIGKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-10-7-8-26-15(10)18-23-22-17(25-18)14-16(19)20-9-12(21-14)11-5-3-4-6-13(11)27(2)24/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 397.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfinylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59471703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).