4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid

C12H18N2O3S — CID 113487083

IUPAC4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1cncs1)C1COCC1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-14(8(2)11-4-13-7-18-11)10-6-17-5-9(10)12(15)16/h4,7-10H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyOJPPAXQIGLHSHA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.63
Rot. Bonds5

About 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 113487083) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID113487083
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1cncs1)C1COCC1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-14(8(2)11-4-13-7-18-11)10-6-17-5-9(10)12(15)16/h4,7-10H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyOJPPAXQIGLHSHA-UHFFFAOYSA-N
XLogP1.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66247498
4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66246707
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66245332
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252141
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
CID 66246896
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[(2-amino-2-thiophen-2-ylacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 115287451
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid (CID 113487083) is 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid is CCN(C(C)c1cncs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OJPPAXQIGLHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-14(8(2)11-4-13-7-18-11)10-6-17-5-9(10)12(15)16/h4,7-10H,3,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 113487083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).