(4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H12N2O4S — CID 28779427

IUPAC(4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H12N2O4S/c1-5-8(6(2)16-11-5)9(13)12-4-17-3-7(12)10(14)15/h7H,3-4H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyMXIGVPGOVWIJKW-ZETCQYMHSA-N
MW256.28 g/mol
LogP0.89
Rot. Bonds2

About (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28779427) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28779427
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H12N2O4S/c1-5-8(6(2)16-11-5)9(13)12-4-17-3-7(12)10(14)15/h7H,3-4H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyMXIGVPGOVWIJKW-ZETCQYMHSA-N
XLogP0.89
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28779427) is (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1noc(C)c1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MXIGVPGOVWIJKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-5-8(6(2)16-11-5)9(13)12-4-17-3-7(12)10(14)15/h7H,3-4H2,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28779427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).