2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C13H21N3O3S — CID 83019725

IUPAC2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)NN1CCCCC1
InChIInChI=1S/C13H21N3O3S/c17-12(18)10-8-20-11(9-4-5-9)16(10)13(19)14-15-6-2-1-3-7-15/h9-11H,1-8H2,(H,14,19)(H,17,18)
InChIKeyLMVKRBAHOJRZTH-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.34
Rot. Bonds3

About 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 83019725) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID83019725
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)NN1CCCCC1
InChIInChI=1S/C13H21N3O3S/c17-12(18)10-8-20-11(9-4-5-9)16(10)13(19)14-15-6-2-1-3-7-15/h9-11H,1-8H2,(H,14,19)(H,17,18)
InChIKeyLMVKRBAHOJRZTH-UHFFFAOYSA-N
XLogP1.34
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-cyclopropyl-3-(3-methylbut-2-enylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114156213
2-cyclopropyl-3-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779877
2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792218
2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780284
2-cyclopropyl-3-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780533
2-cyclopropyl-3-[(2-ethylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114109060
2-cyclopropyl-3-(hexan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780480

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 83019725) is 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)NN1CCCCC1.
What is the InChIKey of 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LMVKRBAHOJRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c17-12(18)10-8-20-11(9-4-5-9)16(10)13(19)14-15-6-2-1-3-7-15/h9-11H,1-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 83019725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).