2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one

C11H16ClN3O3S — CID 23934768

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(Cl)c1C1SCC(=O)N1C[C@H](O)CO
InChIInChI=1S/C11H16ClN3O3S/c1-6-9(10(12)14(2)13-6)11-15(3-7(17)4-16)8(18)5-19-11/h7,11,16-17H,3-5H2,1-2H3/t7-,11?/m0/s1
InChIKeyHSURXFYORXCNPV-RGENBBCFSA-N
MW305.79 g/mol
LogP0.31
Rot. Bonds4

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one (PubChem CID 23934768) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
PubChem CID23934768
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(Cl)c1C1SCC(=O)N1C[C@H](O)CO
InChIInChI=1S/C11H16ClN3O3S/c1-6-9(10(12)14(2)13-6)11-15(3-7(17)4-16)8(18)5-19-11/h7,11,16-17H,3-5H2,1-2H3/t7-,11?/m0/s1
InChIKeyHSURXFYORXCNPV-RGENBBCFSA-N
XLogP0.31
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one (CID 23934768) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one is Cc1nn(C)c(Cl)c1C1SCC(=O)N1C[C@H](O)CO.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The InChIKey is HSURXFYORXCNPV-RGENBBCFSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-6-9(10(12)14(2)13-6)11-15(3-7(17)4-16)8(18)5-19-11/h7,11,16-17H,3-5H2,1-2H3/t7-,11?/m0/s1.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one has a molecular weight of 305.79 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 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-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23934768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).