3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C18H14N4O2S2 — CID 52937665

IUPAC3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1
InChIInChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)
InChIKeyWOXCVRPHALGLIX-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.41
Rot. Bonds3

About 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 52937665) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID52937665
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1
InChIInChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)
InChIKeyWOXCVRPHALGLIX-UHFFFAOYSA-N
XLogP3.41
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 52937665) is 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is WOXCVRPHALGLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 382.47 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 52937665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).