5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one

C16H17Cl2N3OS — CID 71620666

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one
SMILESC=CN1C=CN(C2NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)CC1
InChIInChI=1S/C16H17Cl2N3OS/c1-2-20-5-7-21(8-6-20)16-19-15(22)14(23-16)10-11-3-4-12(17)13(18)9-11/h2-5,7,9,14,16H,1,6,8,10H2,(H,19,22)
InChIKeyHPMUUMPKKOGHPE-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.28
Rot. Bonds4

About 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one

5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one (PubChem CID 71620666) has the molecular formula C16H17Cl2N3OS and a molecular weight of 370.31 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one
PubChem CID71620666
Molecular FormulaC16H17Cl2N3OS
Molecular Weight370.31 g/mol
Exact Mass369.05
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one
SMILESC=CN1C=CN(C2NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)CC1
InChIInChI=1S/C16H17Cl2N3OS/c1-2-20-5-7-21(8-6-20)16-19-15(22)14(23-16)10-11-3-4-12(17)13(18)9-11/h2-5,7,9,14,16H,1,6,8,10H2,(H,19,22)
InChIKeyHPMUUMPKKOGHPE-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one (CID 71620666) is 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one is C=CN1C=CN(C2NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)CC1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one?
The InChIKey is HPMUUMPKKOGHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3OS/c1-2-20-5-7-21(8-6-20)16-19-15(22)14(23-16)10-11-3-4-12(17)13(18)9-11/h2-5,7,9,14,16H,1,6,8,10H2,(H,19,22).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one?
5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one has a molecular weight of 370.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71620666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).