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

C9H15NO2S — CID 106458070

IUPAC3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one
SMILESCC(C)COCCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-8(2)7-12-5-3-10-4-6-13-9(10)11/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDVMDVEVRNCJAGP-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.58
Rot. Bonds5

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

3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 106458070) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one
PubChem CID106458070
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one
SMILESCC(C)COCCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-8(2)7-12-5-3-10-4-6-13-9(10)11/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDVMDVEVRNCJAGP-UHFFFAOYSA-N
XLogP1.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-(2-Propan-2-yloxyethyl)-1,3-thiazol-2-one
CID 115659241
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
3-(2-Ethoxyethyl)-1,3-thiazol-2-one
CID 115749770

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one (CID 106458070) is 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one is CC(C)COCCn1ccsc1=O.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is DVMDVEVRNCJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8(2)7-12-5-3-10-4-6-13-9(10)11/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 106458070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).