2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H14N2O4S — CID 104855810

IUPAC2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)[C@H]1CCCO1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c1-6(10-13-7(5-18-10)11(15)16)12-9(14)8-3-2-4-17-8/h5-6,8H,2-4H2,1H3,(H,12,14)(H,15,16)/t6?,8-/m1/s1
InChIKeyADBAAQGIIXRONS-QFSRMBNQSA-N
MW270.31 g/mol
LogP1.20
Rot. Bonds4

About 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 104855810) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID104855810
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)[C@H]1CCCO1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c1-6(10-13-7(5-18-10)11(15)16)12-9(14)8-3-2-4-17-8/h5-6,8H,2-4H2,1H3,(H,12,14)(H,15,16)/t6?,8-/m1/s1
InChIKeyADBAAQGIIXRONS-QFSRMBNQSA-N
XLogP1.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide
CID 171915681
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
2-[1-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379039
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380398
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[3-(cyclopropylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379233
2-[1-[(4-methylcyclohexyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375442
2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374345

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 104855810) is 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)[C@H]1CCCO1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ADBAAQGIIXRONS-QFSRMBNQSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-6(10-13-7(5-18-10)11(15)16)12-9(14)8-3-2-4-17-8/h5-6,8H,2-4H2,1H3,(H,12,14)(H,15,16)/t6?,8-/m1/s1.
What are the key properties of 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 104855810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).