2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C13H17N3O4S — CID 63780030

IUPAC2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1noc(CCC(=O)N2C(C(=O)O)CSC2C2CC2)n1
InChIInChI=1S/C13H17N3O4S/c1-7-14-10(20-15-7)4-5-11(17)16-9(13(18)19)6-21-12(16)8-2-3-8/h8-9,12H,2-6H2,1H3,(H,18,19)
InChIKeyLXLXIONGPLDUKP-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.08
Rot. Bonds5

About 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780030) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780030
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1noc(CCC(=O)N2C(C(=O)O)CSC2C2CC2)n1
InChIInChI=1S/C13H17N3O4S/c1-7-14-10(20-15-7)4-5-11(17)16-9(13(18)19)6-21-12(16)8-2-3-8/h8-9,12H,2-6H2,1H3,(H,18,19)
InChIKeyLXLXIONGPLDUKP-UHFFFAOYSA-N
XLogP1.08
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

(2S,3aR,7aS)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124696269
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169132
(2S,3aS,7aR)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125152157
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
CID 43431164
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
(3S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124696268
1-(3-hydroxyazetidin-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71853002
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 113268925
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355
2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780021

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780030) is 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1noc(CCC(=O)N2C(C(=O)O)CSC2C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LXLXIONGPLDUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7-14-10(20-15-7)4-5-11(17)16-9(13(18)19)6-21-12(16)8-2-3-8/h8-9,12H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).