2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone

C13H21N3OS — CID 99822657

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone
SMILESCCC[C@H]1SCCN1C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3OS/c1-4-5-13-16(6-7-18-13)12(17)8-11-9(2)14-15-10(11)3/h13H,4-8H2,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyNMYDMKXXTJSWMV-CYBMUJFWSA-N
MW267.40 g/mol
LogP2.27
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone (PubChem CID 99822657) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone
PubChem CID99822657
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone
SMILESCCC[C@H]1SCCN1C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3OS/c1-4-5-13-16(6-7-18-13)12(17)8-11-9(2)14-15-10(11)3/h13H,4-8H2,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyNMYDMKXXTJSWMV-CYBMUJFWSA-N
XLogP2.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone with MolForge

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Related Compounds

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114427118
1-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110126473
(3S,4S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98533468
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791600
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359724
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107432921
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyazepan-1-yl)ethanone
CID 131889726
1-(4-cyclohexylpiperazin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 74238007
1-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 146084067
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-fluoroethoxy)azetidin-1-yl]ethanone
CID 126833984
(2-propyl-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
CID 122140873
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(3-fluorophenyl)azetidin-1-yl]ethanone
CID 136529373

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone (CID 99822657) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone is CCC[C@H]1SCCN1C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is NMYDMKXXTJSWMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-5-13-16(6-7-18-13)12(17)8-11-9(2)14-15-10(11)3/h13H,4-8H2,1-3H3,(H,14,15)/t13-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 267.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 99822657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).