4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid

C11H16N2O3S — CID 103238624

IUPAC4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC(NCc1csc(C(=O)O)n1)C1CCCO1
InChIInChI=1S/C11H16N2O3S/c1-7(9-3-2-4-16-9)12-5-8-6-17-10(13-8)11(14)15/h6-7,9,12H,2-5H2,1H3,(H,14,15)
InChIKeySVVUKEQEXYIHQK-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.50
Rot. Bonds5

About 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid

4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 103238624) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID103238624
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC(NCc1csc(C(=O)O)n1)C1CCCO1
InChIInChI=1S/C11H16N2O3S/c1-7(9-3-2-4-16-9)12-5-8-6-17-10(13-8)11(14)15/h6-7,9,12H,2-5H2,1H3,(H,14,15)
InChIKeySVVUKEQEXYIHQK-UHFFFAOYSA-N
XLogP1.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid with MolForge

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Related Compounds

(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 99821207
(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
CID 95567925
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247696
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103246287
4-[(hexan-3-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103248470
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103238599
4-[[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103262575
6-methyl-2-[[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]methyl]pyridin-3-ol
CID 124528159
4-[(heptan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247348
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103244696

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid (CID 103238624) is 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid is CC(NCc1csc(C(=O)O)n1)C1CCCO1.
What is the InChIKey of 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is SVVUKEQEXYIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(9-3-2-4-16-9)12-5-8-6-17-10(13-8)11(14)15/h6-7,9,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 103238624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).