oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate

C11H15NO3S2 — CID 107018670

IUPACoxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
SMILESCc1[nH]c(=S)sc1CC(=O)OCC1CCOC1
InChIInChI=1S/C11H15NO3S2/c1-7-9(17-11(16)12-7)4-10(13)15-6-8-2-3-14-5-8/h8H,2-6H2,1H3,(H,12,16)
InChIKeyQBYOSGPUQUBSJM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds4

About oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate

oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate (PubChem CID 107018670) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
PubChem CID107018670
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Nameoxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
SMILESCc1[nH]c(=S)sc1CC(=O)OCC1CCOC1
InChIInChI=1S/C11H15NO3S2/c1-7-9(17-11(16)12-7)4-10(13)15-6-8-2-3-14-5-8/h8H,2-6H2,1H3,(H,12,16)
InChIKeyQBYOSGPUQUBSJM-UHFFFAOYSA-N
XLogP2.24
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

oxan-2-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
CID 113220436
2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
CID 106207980
(3,5-dimethylcyclohexyl) 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
CID 107018900
oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 61235023
N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103865042
oxolan-3-ylmethyl 3-(ethylamino)propanoate
CID 62329002
oxolan-3-ylmethyl 2-piperazin-1-ylacetate
CID 62311858
N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47293453
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 102559623
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
N-tert-butyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606026

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
The IUPAC name of oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate (CID 107018670) is oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
The canonical SMILES for oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate is Cc1[nH]c(=S)sc1CC(=O)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
The InChIKey is QBYOSGPUQUBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7-9(17-11(16)12-7)4-10(13)15-6-8-2-3-14-5-8/h8H,2-6H2,1H3,(H,12,16).
What are the key properties of oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate has a molecular weight of 273.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 107018670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).