5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine

C19H17FN4O2S — CID 90314028

IUPAC5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1
InChIInChI=1S/C19H17FN4O2S/c20-16-10-13(6-7-15(16)17-11-23-19(21)12-22-17)14-4-1-2-5-18(14)24-8-3-9-27(24,25)26/h1-2,4-7,10-12H,3,8-9H2,(H2,21,23)
InChIKeyAXPACWGWHUTGHP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.07
Rot. Bonds3

About 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90314028) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90314028
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1
InChIInChI=1S/C19H17FN4O2S/c20-16-10-13(6-7-15(16)17-11-23-19(21)12-22-17)14-4-1-2-5-18(14)24-8-3-9-27(24,25)26/h1-2,4-7,10-12H,3,8-9H2,(H2,21,23)
InChIKeyAXPACWGWHUTGHP-UHFFFAOYSA-N
XLogP3.07
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine (CID 90314028) is 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)cc2F)cn1.
What is the InChIKey of 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is AXPACWGWHUTGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-16-10-13(6-7-15(16)17-11-23-19(21)12-22-17)14-4-1-2-5-18(14)24-8-3-9-27(24,25)26/h1-2,4-7,10-12H,3,8-9H2,(H2,21,23).
What are the key properties of 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 384.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90314028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).