4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid

C14H22N2O3S — CID 66245104

IUPAC4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCc1nc(CN(CC)C2COCC2C(=O)O)cs1
InChIInChI=1S/C14H22N2O3S/c1-3-5-13-15-10(9-20-13)6-16(4-2)12-8-19-7-11(12)14(17)18/h9,11-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyAXDOHPWATVLZOF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.02
Rot. Bonds7

About 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 66245104) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID66245104
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCc1nc(CN(CC)C2COCC2C(=O)O)cs1
InChIInChI=1S/C14H22N2O3S/c1-3-5-13-15-10(9-20-13)6-16(4-2)12-8-19-7-11(12)14(17)18/h9,11-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyAXDOHPWATVLZOF-UHFFFAOYSA-N
XLogP2.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79116301
4-[(2,3-dimethylphenyl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66246912
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
4-[[4-(dimethylamino)phenyl]methyl-ethylamino]oxolane-3-carboxylic acid
CID 66245915
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
4-[(3-bromofuran-2-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 106889571
4-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]oxolane-3-carboxylic acid
CID 66245299
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66247880
methyl 2-[cyclopentyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 80709452
4-[(4-bromo-5-chlorothiophen-2-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 102845149
4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66245310

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid (CID 66245104) is 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid is CCCc1nc(CN(CC)C2COCC2C(=O)O)cs1.
What is the InChIKey of 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is AXDOHPWATVLZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-5-13-15-10(9-20-13)6-16(4-2)12-8-19-7-11(12)14(17)18/h9,11-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).