3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one

C9H15NO2S — CID 115647611

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one
SMILESCC(C)(C)OCCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-9(2,3)12-6-4-10-5-7-13-8(10)11/h5,7H,4,6H2,1-3H3
InChIKeyAIRMWDLSIWVVGH-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.72
Rot. Bonds3

About 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one

3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one (PubChem CID 115647611) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one
PubChem CID115647611
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one
SMILESCC(C)(C)OCCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-9(2,3)12-6-4-10-5-7-13-8(10)11/h5,7H,4,6H2,1-3H3
InChIKeyAIRMWDLSIWVVGH-UHFFFAOYSA-N
XLogP1.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-Butoxyethyl)-1,3-thiazol-2-one
CID 115659229
3-(2-Propan-2-yloxyethyl)-1,3-thiazol-2-one
CID 115659241
3-[2-(3-Methylbutoxy)ethyl]-1,3-thiazol-2-one
CID 115749762
3-[2-(2-Methoxyethoxy)ethyl]-1,3-thiazol-2-one
CID 115749766
3-(2-Ethoxyethyl)-1,3-thiazol-2-one
CID 115749770
3-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
CID 116622670
3-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
CID 116622686

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one (CID 115647611) is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one is CC(C)(C)OCCn1ccsc1=O.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one?
The InChIKey is AIRMWDLSIWVVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,3)12-6-4-10-5-7-13-8(10)11/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one?
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115647611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).