3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C21H19N5O2S2 — CID 155510809

IUPAC3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C21H19N5O2S2/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)
InChIKeyLQVDBLSYJRHXNJ-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.09
Rot. Bonds5

About 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 155510809) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID155510809
Molecular FormulaC21H19N5O2S2
Molecular Weight437.55 g/mol
Exact Mass437.10
IUPAC Name3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C21H19N5O2S2/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)
InChIKeyLQVDBLSYJRHXNJ-UHFFFAOYSA-N
XLogP4.09
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 155510809) is 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)s3)n2)cc1.
What is the InChIKey of 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is LQVDBLSYJRHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23).
What are the key properties of 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 437.55 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 155510809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).