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

C17H21N3O3S — CID 23793149

IUPAC3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCc1nn(-c2ccccc2)c(C)c1C1SCC(=O)N1C[C@H](O)CO
InChIInChI=1S/C17H21N3O3S/c1-11-16(12(2)20(18-11)13-6-4-3-5-7-13)17-19(8-14(22)9-21)15(23)10-24-17/h3-7,14,17,21-22H,8-10H2,1-2H3/t14-,17?/m0/s1
InChIKeyJNLRLCVPSHDVHW-MBIQTGHCSA-N
MW347.44 g/mol
LogP1.42
Rot. Bonds5

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

3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 23793149) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID23793149
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCc1nn(-c2ccccc2)c(C)c1C1SCC(=O)N1C[C@H](O)CO
InChIInChI=1S/C17H21N3O3S/c1-11-16(12(2)20(18-11)13-6-4-3-5-7-13)17-19(8-14(22)9-21)15(23)10-24-17/h3-7,14,17,21-22H,8-10H2,1-2H3/t14-,17?/m0/s1
InChIKeyJNLRLCVPSHDVHW-MBIQTGHCSA-N
XLogP1.42
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
CID 23763044
(2S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2-phenyl-1,3-thiazolidin-4-one
CID 139059273
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-2-one
CID 24594917
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-4-ium-2-one
CID 7129008
2-(1,3-diphenylpyrazol-4-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 2802850
2-(2-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
CID 24712043
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 18199936
2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide
CID 35878494
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one
CID 8023519
4-[(4-tert-butylphenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 18207338
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 23793149) is 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one is Cc1nn(-c2ccccc2)c(C)c1C1SCC(=O)N1C[C@H](O)CO.
What is the InChIKey of 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is JNLRLCVPSHDVHW-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-16(12(2)20(18-11)13-6-4-3-5-7-13)17-19(8-14(22)9-21)15(23)10-24-17/h3-7,14,17,21-22H,8-10H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).