2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H13N3O3S — CID 63791089

IUPAC2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccnn1C
InChIInChI=1S/C10H13N3O3S/c1-6-13(8(5-17-6)10(15)16)9(14)7-3-4-11-12(7)2/h3-4,6,8H,5H2,1-2H3,(H,15,16)
InChIKeyRLGLMGGKEFXSJI-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.41
Rot. Bonds2

About 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791089) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791089
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccnn1C
InChIInChI=1S/C10H13N3O3S/c1-6-13(8(5-17-6)10(15)16)9(14)7-3-4-11-12(7)2/h3-4,6,8H,5H2,1-2H3,(H,15,16)
InChIKeyRLGLMGGKEFXSJI-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63791089) is 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RLGLMGGKEFXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-13(8(5-17-6)10(15)16)9(14)7-3-4-11-12(7)2/h3-4,6,8H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).