3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one

C10H17NO2S — CID 115749762

IUPAC3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one
SMILESCC(C)CCOCCn1ccsc1=O
InChIInChI=1S/C10H17NO2S/c1-9(2)3-6-13-7-4-11-5-8-14-10(11)12/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyPZXGTSCHOUNKAF-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.97
Rot. Bonds6

About 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one

3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 115749762) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one
PubChem CID115749762
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one
SMILESCC(C)CCOCCn1ccsc1=O
InChIInChI=1S/C10H17NO2S/c1-9(2)3-6-13-7-4-11-5-8-14-10(11)12/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyPZXGTSCHOUNKAF-UHFFFAOYSA-N
XLogP1.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-Methoxypropoxy)ethyl]-1,3-thiazol-2-one
CID 103184191
3-[2-(2-Methylpropoxy)ethyl]-1,3-thiazol-2-one
CID 106458070
3-(2-Propoxyethyl)-1,3-thiazol-2-one
CID 106458071
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-(2-Propan-2-yloxyethyl)-1,3-thiazol-2-one
CID 115659241
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-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one (CID 115749762) is 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one is CC(C)CCOCCn1ccsc1=O.
What is the InChIKey of 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is PZXGTSCHOUNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9(2)3-6-13-7-4-11-5-8-14-10(11)12/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115749762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).