3-(2-oxopropyl)-1,3-thiazol-2-one

C6H7NO2S — CID 63312407

IUPAC3-(2-oxopropyl)-1,3-thiazol-2-one
SMILESCC(=O)Cn1ccsc1=O
InChIInChI=1S/C6H7NO2S/c1-5(8)4-7-2-3-10-6(7)9/h2-3H,4H2,1H3
InChIKeyUCQQFGYULBFIJR-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.50
Rot. Bonds2

About 3-(2-oxopropyl)-1,3-thiazol-2-one

3-(2-oxopropyl)-1,3-thiazol-2-one (PubChem CID 63312407) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(2-oxopropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-1,3-thiazol-2-one
PubChem CID63312407
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-(2-oxopropyl)-1,3-thiazol-2-one
SMILESCC(=O)Cn1ccsc1=O
InChIInChI=1S/C6H7NO2S/c1-5(8)4-7-2-3-10-6(7)9/h2-3H,4H2,1H3
InChIKeyUCQQFGYULBFIJR-UHFFFAOYSA-N
XLogP0.50
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-oxopropyl)-1,3-thiazol-2-one (CID 63312407) is 3-(2-oxopropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-oxopropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-oxopropyl)-1,3-thiazol-2-one is CC(=O)Cn1ccsc1=O.
What is the InChIKey of 3-(2-oxopropyl)-1,3-thiazol-2-one?
The InChIKey is UCQQFGYULBFIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-5(8)4-7-2-3-10-6(7)9/h2-3H,4H2,1H3.
What are the key properties of 3-(2-oxopropyl)-1,3-thiazol-2-one?
3-(2-oxopropyl)-1,3-thiazol-2-one has a molecular weight of 157.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).