5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C23H24N6O3S2 — CID 59471730

IUPAC5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(C5CCCN5)s4)o3)n2)cc1
InChIInChI=1S/C23H24N6O3S2/c1-13(2)34(30,31)15-7-5-14(6-8-15)17-12-26-21(24)20(27-17)23-29-28-22(32-23)19-10-9-18(33-19)16-4-3-11-25-16/h5-10,12-13,16,25H,3-4,11H2,1-2H3,(H2,24,26)
InChIKeyMFSHGVCNMHNTPU-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.11
Rot. Bonds6

About 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59471730) has the molecular formula C23H24N6O3S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59471730
Molecular FormulaC23H24N6O3S2
Molecular Weight496.62 g/mol
Exact Mass496.14
IUPAC Name5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(C5CCCN5)s4)o3)n2)cc1
InChIInChI=1S/C23H24N6O3S2/c1-13(2)34(30,31)15-7-5-14(6-8-15)17-12-26-21(24)20(27-17)23-29-28-22(32-23)19-10-9-18(33-19)16-4-3-11-25-16/h5-10,12-13,16,25H,3-4,11H2,1-2H3,(H2,24,26)
InChIKeyMFSHGVCNMHNTPU-UHFFFAOYSA-N
XLogP4.11
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59471730) is 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(C5CCCN5)s4)o3)n2)cc1.
What is the InChIKey of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is MFSHGVCNMHNTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S2/c1-13(2)34(30,31)15-7-5-14(6-8-15)17-12-26-21(24)20(27-17)23-29-28-22(32-23)19-10-9-18(33-19)16-4-3-11-25-16/h5-10,12-13,16,25H,3-4,11H2,1-2H3,(H2,24,26).
What are the key properties of 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 496.62 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylsulfonylphenyl)-3-[5-(5-pyrrolidin-2-ylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59471730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).