3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one

C10H13NO2S — CID 19987441

IUPAC3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one
SMILESCCC1C(=O)OCC1Cc1cncs1
InChIInChI=1S/C10H13NO2S/c1-2-9-7(5-13-10(9)12)3-8-4-11-6-14-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyLZWSQBDQDNHSHN-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.88
Rot. Bonds3

About 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one

3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one (PubChem CID 19987441) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one
PubChem CID19987441
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one
SMILESCCC1C(=O)OCC1Cc1cncs1
InChIInChI=1S/C10H13NO2S/c1-2-9-7(5-13-10(9)12)3-8-4-11-6-14-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyLZWSQBDQDNHSHN-UHFFFAOYSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one?
The IUPAC name of 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one (CID 19987441) is 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one.
What is the SMILES notation for 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one?
The canonical SMILES for 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one is CCC1C(=O)OCC1Cc1cncs1.
What is the InChIKey of 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one?
The InChIKey is LZWSQBDQDNHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-9-7(5-13-10(9)12)3-8-4-11-6-14-8/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one?
3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one has a molecular weight of 211.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,3-thiazol-5-ylmethyl)oxolan-2-one is sourced from PubChem (CID 19987441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).