4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid

C14H22N2O3S — CID 66246707

IUPAC4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1nc(C)sc1C)C1COCC1C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-5-16(12-7-19-6-11(12)14(17)18)8(2)13-9(3)20-10(4)15-13/h8,11-12H,5-7H2,1-4H3,(H,17,18)
InChIKeyFWRWGOOXGIKSFV-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.24
Rot. Bonds5

About 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid

4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246707) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246707
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1nc(C)sc1C)C1COCC1C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-5-16(12-7-19-6-11(12)14(17)18)8(2)13-9(3)20-10(4)15-13/h8,11-12H,5-7H2,1-4H3,(H,17,18)
InChIKeyFWRWGOOXGIKSFV-UHFFFAOYSA-N
XLogP2.24
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66245332
4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
CID 113487083
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66247498
4-[1-(2,4-dichlorophenyl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66247505
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
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-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246620
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
CID 79268255

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid (CID 66246707) is 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid is CCN(C(C)c1nc(C)sc1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is FWRWGOOXGIKSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-16(12-7-19-6-11(12)14(17)18)8(2)13-9(3)20-10(4)15-13/h8,11-12H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).