3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one

C8H9NO2S — CID 63913113

IUPAC3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)C1CC1
InChIInChI=1S/C8H9NO2S/c10-7(6-1-2-6)5-9-3-4-12-8(9)11/h3-4,6H,1-2,5H2
InChIKeyLGNUBLFLMDPAQA-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.89
Rot. Bonds3

About 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one

3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one (PubChem CID 63913113) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one
PubChem CID63913113
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)C1CC1
InChIInChI=1S/C8H9NO2S/c10-7(6-1-2-6)5-9-3-4-12-8(9)11/h3-4,6H,1-2,5H2
InChIKeyLGNUBLFLMDPAQA-UHFFFAOYSA-N
XLogP0.89
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one (CID 63913113) is 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)C1CC1.
What is the InChIKey of 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one?
The InChIKey is LGNUBLFLMDPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-7(6-1-2-6)5-9-3-4-12-8(9)11/h3-4,6H,1-2,5H2.
What are the key properties of 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one?
3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one has a molecular weight of 183.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63913113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).