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

C12H15N3O3S — CID 103116827

IUPAC2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1ccc(C(=O)N2C(C(=O)O)CSC2C2CC2)n1
InChIInChI=1S/C12H15N3O3S/c1-14-5-4-8(13-14)10(16)15-9(12(17)18)6-19-11(15)7-2-3-7/h4-5,7,9,11H,2-3,6H2,1H3,(H,17,18)
InChIKeyGKIIQKUKKNWPLY-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.80
Rot. Bonds3

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

2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103116827) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID103116827
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1ccc(C(=O)N2C(C(=O)O)CSC2C2CC2)n1
InChIInChI=1S/C12H15N3O3S/c1-14-5-4-8(13-14)10(16)15-9(12(17)18)6-19-11(15)7-2-3-7/h4-5,7,9,11H,2-3,6H2,1H3,(H,17,18)
InChIKeyGKIIQKUKKNWPLY-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116824
2-cyclopropyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781983
2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780216
3-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 66380813
2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780905
2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780524
2-cyclopropyl-3-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 66127621

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 103116827) is 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cn1ccc(C(=O)N2C(C(=O)O)CSC2C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GKIIQKUKKNWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-14-5-4-8(13-14)10(16)15-9(12(17)18)6-19-11(15)7-2-3-7/h4-5,7,9,11H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103116827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).