2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H19N3O3S — CID 66127621

IUPAC2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H19N3O3S/c1-3-16-10(6-8(2)15-16)12(18)17-11(14(19)20)7-21-13(17)9-4-5-9/h6,9,11,13H,3-5,7H2,1-2H3,(H,19,20)
InChIKeyACIULMNKJTZXFN-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.59
Rot. Bonds4

About 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66127621) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66127621
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H19N3O3S/c1-3-16-10(6-8(2)15-16)12(18)17-11(14(19)20)7-21-13(17)9-4-5-9/h6,9,11,13H,3-5,7H2,1-2H3,(H,19,20)
InChIKeyACIULMNKJTZXFN-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 66127621) is 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCn1nc(C)cc1C(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ACIULMNKJTZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-16-10(6-8(2)15-16)12(18)17-11(14(19)20)7-21-13(17)9-4-5-9/h6,9,11,13H,3-5,7H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66127621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).