3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one

C9H15NO2S — CID 102975119

IUPAC3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one
SMILESCOC(C)(C)CCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-9(2,12-3)4-5-10-6-7-13-8(10)11/h6-7H,4-5H2,1-3H3
InChIKeySBABSOKYUIVWOP-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.72
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one

3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one (PubChem CID 102975119) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one
PubChem CID102975119
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one
SMILESCOC(C)(C)CCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-9(2,12-3)4-5-10-6-7-13-8(10)11/h6-7H,4-5H2,1-3H3
InChIKeySBABSOKYUIVWOP-UHFFFAOYSA-N
XLogP1.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 3-(3-methoxy-3-methylbutyl)-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-(3-Hydroxy-3-methylbutyl)-1,3-thiazol-2-one
CID 79359881
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-(3-Methoxypropyl)-1,3-thiazol-2-one
CID 115736833

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one (CID 102975119) is 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one is COC(C)(C)CCn1ccsc1=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one?
The InChIKey is SBABSOKYUIVWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,12-3)4-5-10-6-7-13-8(10)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one?
3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 102975119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).