2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

C15H23ClN4O2S — CID 3808028

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(Cl)c1C1SCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C15H23ClN4O2S/c1-11-13(14(16)18(2)17-11)15-20(12(21)10-23-15)5-3-4-19-6-8-22-9-7-19/h15H,3-10H2,1-2H3
InChIKeyURBRNAUVTNQVQR-UHFFFAOYSA-N
MW358.90 g/mol
LogP1.68
Rot. Bonds5

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3808028) has the molecular formula C15H23ClN4O2S and a molecular weight of 358.90 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID3808028
Molecular FormulaC15H23ClN4O2S
Molecular Weight358.90 g/mol
Exact Mass358.12
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(Cl)c1C1SCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C15H23ClN4O2S/c1-11-13(14(16)18(2)17-11)15-20(12(21)10-23-15)5-3-4-19-6-8-22-9-7-19/h15H,3-10H2,1-2H3
InChIKeyURBRNAUVTNQVQR-UHFFFAOYSA-N
XLogP1.68
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.90
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 3808028) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is Cc1nn(C)c(Cl)c1C1SCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is URBRNAUVTNQVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2S/c1-11-13(14(16)18(2)17-11)15-20(12(21)10-23-15)5-3-4-19-6-8-22-9-7-19/h15H,3-10H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 358.90 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).