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

C12H17N3O4S — CID 106374244

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1cnc(CNC(=O)N2C(C)SCC2C(=O)O)o1
InChIInChI=1S/C12H17N3O4S/c1-3-8-4-13-10(19-8)5-14-12(18)15-7(2)20-6-9(15)11(16)17/h4,7,9H,3,5-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCQLKMFLIAVOLOZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.29
Rot. Bonds4

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

3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 106374244) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID106374244
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1cnc(CNC(=O)N2C(C)SCC2C(=O)O)o1
InChIInChI=1S/C12H17N3O4S/c1-3-8-4-13-10(19-8)5-14-12(18)15-7(2)20-6-9(15)11(16)17/h4,7,9H,3,5-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCQLKMFLIAVOLOZ-UHFFFAOYSA-N
XLogP1.29
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780770
(2R,4R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106374163
3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106005669
cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370141
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370130
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780516
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 106371216
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106371148
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 106371116
2-methyl-3-(2H-tetrazol-5-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235341

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 106374244) is 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCc1cnc(CNC(=O)N2C(C)SCC2C(=O)O)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CQLKMFLIAVOLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-3-8-4-13-10(19-8)5-14-12(18)15-7(2)20-6-9(15)11(16)17/h4,7,9H,3,5-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 106374244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).