3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H13N3O3S — CID 43209977

IUPAC3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CSCC2C(=O)O)cnn1C
InChIInChI=1S/C10H13N3O3S/c1-6-7(3-11-12(6)2)9(14)13-5-17-4-8(13)10(15)16/h3,8H,4-5H2,1-2H3,(H,15,16)
InChIKeyKUXXCUONYLUXLP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.33
Rot. Bonds2

About 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43209977) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43209977
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CSCC2C(=O)O)cnn1C
InChIInChI=1S/C10H13N3O3S/c1-6-7(3-11-12(6)2)9(14)13-5-17-4-8(13)10(15)16/h3,8H,4-5H2,1-2H3,(H,15,16)
InChIKeyKUXXCUONYLUXLP-UHFFFAOYSA-N
XLogP0.33
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,5-dimethylpyrazole-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 78980377
[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216972
(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144021
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28742709
3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116447
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102810088
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43209977) is 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1c(C(=O)N2CSCC2C(=O)O)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KUXXCUONYLUXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-7(3-11-12(6)2)9(14)13-5-17-4-8(13)10(15)16/h3,8H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43209977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).