[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone

C15H14ClN3OS — CID 122329605

IUPAC[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCSC2c2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H14ClN3OS/c1-10-8-18-13(9-17-10)14(20)19-6-7-21-15(19)11-2-4-12(16)5-3-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyFMAFORSTJCSSRK-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.33
Rot. Bonds2

About [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone

[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 122329605) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID122329605
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCSC2c2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H14ClN3OS/c1-10-8-18-13(9-17-10)14(20)19-6-7-21-15(19)11-2-4-12(16)5-3-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyFMAFORSTJCSSRK-UHFFFAOYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone (CID 122329605) is [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCSC2c2ccc(Cl)cc2)cn1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is FMAFORSTJCSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-10-8-18-13(9-17-10)14(20)19-6-7-21-15(19)11-2-4-12(16)5-3-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 319.82 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 122329605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).