5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid

C11H16N2O3S — CID 103243336

IUPAC5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
SMILESCc1nc(CNCC2CCC(C(=O)O)O2)cs1
InChIInChI=1S/C11H16N2O3S/c1-7-13-8(6-17-7)4-12-5-9-2-3-10(16-9)11(14)15/h6,9-10,12H,2-5H2,1H3,(H,14,15)
InChIKeyIZNADHBLIBAZJE-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.17
Rot. Bonds5

About 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid

5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 103243336) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID103243336
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
SMILESCc1nc(CNCC2CCC(C(=O)O)O2)cs1
InChIInChI=1S/C11H16N2O3S/c1-7-13-8(6-17-7)4-12-5-9-2-3-10(16-9)11(14)15/h6,9-10,12H,2-5H2,1H3,(H,14,15)
InChIKeyIZNADHBLIBAZJE-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
1-(1,3-dioxan-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81101919
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103255665
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 63046471
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 66006508
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
5-[[(4-nitrophenyl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103239714
5-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 114186494
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid (CID 103243336) is 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid is Cc1nc(CNCC2CCC(C(=O)O)O2)cs1.
What is the InChIKey of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is IZNADHBLIBAZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-13-8(6-17-7)4-12-5-9-2-3-10(16-9)11(14)15/h6,9-10,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103243336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).