3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid

C10H14N2O3S — CID 142739836

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid
SMILESCc1noc(C)c1CN1CCSC1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-8(7(2)15-11-6)5-12-3-4-16-9(12)10(13)14/h9H,3-5H2,1-2H3,(H,13,14)
InChIKeyRLTODERWZOFPFC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.25
Rot. Bonds3

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid (PubChem CID 142739836) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid
PubChem CID142739836
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid
SMILESCc1noc(C)c1CN1CCSC1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-8(7(2)15-11-6)5-12-3-4-16-9(12)10(13)14/h9H,3-5H2,1-2H3,(H,13,14)
InChIKeyRLTODERWZOFPFC-UHFFFAOYSA-N
XLogP1.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid (CID 142739836) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid is Cc1noc(C)c1CN1CCSC1C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is RLTODERWZOFPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-8(7(2)15-11-6)5-12-3-4-16-9(12)10(13)14/h9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 142739836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).