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

C13H20N2O3S — CID 103263831

IUPAC5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
SMILESCCc1cnc(C(C)NCC2CCC(C(=O)O)O2)s1
InChIInChI=1S/C13H20N2O3S/c1-3-10-7-15-12(19-10)8(2)14-6-9-4-5-11(18-9)13(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyIYEPVPPEELYFHN-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.99
Rot. Bonds6

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

5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 103263831) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
PubChem CID103263831
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
SMILESCCc1cnc(C(C)NCC2CCC(C(=O)O)O2)s1
InChIInChI=1S/C13H20N2O3S/c1-3-10-7-15-12(19-10)8(2)14-6-9-4-5-11(18-9)13(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyIYEPVPPEELYFHN-UHFFFAOYSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
1-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 103158239
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 115679847
N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
CID 113387190
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 116680390
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244684
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 113387356
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103262784

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid (CID 103263831) is 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid is CCc1cnc(C(C)NCC2CCC(C(=O)O)O2)s1.
What is the InChIKey of 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is IYEPVPPEELYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-10-7-15-12(19-10)8(2)14-6-9-4-5-11(18-9)13(16)17/h7-9,11,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid?
5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103263831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).