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

C11H15N3O3S — CID 28742709

IUPAC(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-6-9(7(2)13(3)12-6)10(15)14-5-18-4-8(14)11(16)17/h8H,4-5H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKeyHFXRFACUTIMBPR-QMMMGPOBSA-N
MW269.33 g/mol
LogP0.64
Rot. Bonds2

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

(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28742709) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28742709
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-6-9(7(2)13(3)12-6)10(15)14-5-18-4-8(14)11(16)17/h8H,4-5H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKeyHFXRFACUTIMBPR-QMMMGPOBSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28742709) is (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1nn(C)c(C)c1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HFXRFACUTIMBPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-9(7(2)13(3)12-6)10(15)14-5-18-4-8(14)11(16)17/h8H,4-5H2,1-3H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28742709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).