2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid

C7H8N2O3S — CID 68806943

IUPAC2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnco2)N1
InChIInChI=1S/C7H8N2O3S/c10-7(11)4-2-13-6(9-4)5-1-8-3-12-5/h1,3-4,6,9H,2H2,(H,10,11)
InChIKeyHXHSLHJGAGGMQL-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.46
Rot. Bonds2

About 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid

2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68806943) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID68806943
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnco2)N1
InChIInChI=1S/C7H8N2O3S/c10-7(11)4-2-13-6(9-4)5-1-8-3-12-5/h1,3-4,6,9H,2H2,(H,10,11)
InChIKeyHXHSLHJGAGGMQL-UHFFFAOYSA-N
XLogP0.46
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-Oxazol-5-yl-thiazolidine-4-carboxylic acid
CID 68806945
(2R)-2-(1,3-oxazol-5-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 91148715
2-methylsulfanyl-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 65965075
3-methylsulfanyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine
CID 65965076
3-(1,3-Oxazol-5-ylmethylamino)propanoic acid
CID 65965243
N-(1,3-oxazol-5-ylmethyl)-1,1-dioxothiolan-3-amine
CID 65966739
2-(1,3-Oxazol-5-ylmethylamino)propanoic acid
CID 65967019
N-(1,3-oxazol-5-ylmethyl)-1-(thiolan-2-yl)methanamine
CID 80584339
N-(1,3-oxazol-5-ylmethyl)thiolan-3-amine
CID 103062703
2-Methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)butan-1-ol
CID 106159206
2-Methyl-1-methylsulfanyl-3-(1,3-oxazol-5-ylmethylamino)propan-2-ol
CID 106246164
3-[2-(1,3-Oxazol-5-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106309566

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (CID 68806943) is 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cnco2)N1.
What is the InChIKey of 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HXHSLHJGAGGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c10-7(11)4-2-13-6(9-4)5-1-8-3-12-5/h1,3-4,6,9H,2H2,(H,10,11).
What are the key properties of 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).