5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one

C10H15NO2S — CID 62798970

IUPAC5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
SMILESCOCCCC(=O)Cc1csc(C)n1
InChIInChI=1S/C10H15NO2S/c1-8-11-9(7-14-8)6-10(12)4-3-5-13-2/h7H,3-6H2,1-2H3
InChIKeyDEXMZJIGYYIEPS-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.99
Rot. Bonds6

About 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one

5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one (PubChem CID 62798970) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
PubChem CID62798970
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
SMILESCOCCCC(=O)Cc1csc(C)n1
InChIInChI=1S/C10H15NO2S/c1-8-11-9(7-14-8)6-10(12)4-3-5-13-2/h7H,3-6H2,1-2H3
InChIKeyDEXMZJIGYYIEPS-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
The IUPAC name of 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one (CID 62798970) is 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one.
What is the SMILES notation for 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
The canonical SMILES for 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one is COCCCC(=O)Cc1csc(C)n1.
What is the InChIKey of 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
The InChIKey is DEXMZJIGYYIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-11-9(7-14-8)6-10(12)4-3-5-13-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one?
5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one has a molecular weight of 213.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one is sourced from PubChem (CID 62798970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).