2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one

C13H10ClN3OS — CID 127257523

IUPAC2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2nccnc2-c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H10ClN3OS/c14-9-3-1-8(2-4-9)11-12(16-6-5-15-11)13-17-10(18)7-19-13/h1-6,13H,7H2,(H,17,18)
InChIKeyXXIKTBYZAGNLCD-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.66
Rot. Bonds2

About 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one

2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one (PubChem CID 127257523) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one
PubChem CID127257523
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2nccnc2-c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H10ClN3OS/c14-9-3-1-8(2-4-9)11-12(16-6-5-15-11)13-17-10(18)7-19-13/h1-6,13H,7H2,(H,17,18)
InChIKeyXXIKTBYZAGNLCD-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one (CID 127257523) is 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2nccnc2-c2ccc(Cl)cc2)N1.
What is the InChIKey of 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is XXIKTBYZAGNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-9-3-1-8(2-4-9)11-12(16-6-5-15-11)13-17-10(18)7-19-13/h1-6,13H,7H2,(H,17,18).
What are the key properties of 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one?
2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 291.76 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127257523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).