3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one

C8H13NO2S — CID 115659241

IUPAC3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one
SMILESCC(C)OCCn1ccsc1=O
InChIInChI=1S/C8H13NO2S/c1-7(2)11-5-3-9-4-6-12-8(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyDBJDVDXEEBQEFP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.33
Rot. Bonds4

About 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one

3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one (PubChem CID 115659241) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one
PubChem CID115659241
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one
SMILESCC(C)OCCn1ccsc1=O
InChIInChI=1S/C8H13NO2S/c1-7(2)11-5-3-9-4-6-12-8(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyDBJDVDXEEBQEFP-UHFFFAOYSA-N
XLogP1.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312788
3-[2-(2-Sulfanylethoxy)ethyl]-1,3-thiazol-2-one
CID 80031214
3-[2-(3-Methoxypropoxy)ethyl]-1,3-thiazol-2-one
CID 103184191
3-(2-Methoxypropyl)-1,3-thiazol-2-one
CID 104096624
3-[2-(2-Methylpropoxy)ethyl]-1,3-thiazol-2-one
CID 106458070
3-(2-Propoxyethyl)-1,3-thiazol-2-one
CID 106458071
3-(2-Methoxyethyl)-1,3-thiazol-2-one
CID 115646842
3-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one
CID 115647611
3-(2-Butoxyethyl)-1,3-thiazol-2-one
CID 115659229
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-[2-(3-Methylbutoxy)ethyl]-1,3-thiazol-2-one
CID 115749762
3-[2-(2-Methoxyethoxy)ethyl]-1,3-thiazol-2-one
CID 115749766

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one (CID 115659241) is 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one is CC(C)OCCn1ccsc1=O.
What is the InChIKey of 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one?
The InChIKey is DBJDVDXEEBQEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-7(2)11-5-3-9-4-6-12-8(9)10/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one?
3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115659241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).