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

C11H16ClN3O2S — CID 3832124

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(Cl)c1C1SCC(=O)N1CCCO
InChIInChI=1S/C11H16ClN3O2S/c1-7-9(10(12)14(2)13-7)11-15(4-3-5-16)8(17)6-18-11/h11,16H,3-6H2,1-2H3
InChIKeyYBFZOIWFIJZCRF-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.34
Rot. Bonds4

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3832124) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
PubChem CID3832124
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(Cl)c1C1SCC(=O)N1CCCO
InChIInChI=1S/C11H16ClN3O2S/c1-7-9(10(12)14(2)13-7)11-15(4-3-5-16)8(17)6-18-11/h11,16H,3-6H2,1-2H3
InChIKeyYBFZOIWFIJZCRF-UHFFFAOYSA-N
XLogP1.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one (CID 3832124) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one is Cc1nn(C)c(Cl)c1C1SCC(=O)N1CCCO.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is YBFZOIWFIJZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-7-9(10(12)14(2)13-7)11-15(4-3-5-16)8(17)6-18-11/h11,16H,3-6H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 289.79 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3832124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).