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

C11H17NO2S — CID 116708274

IUPAC3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCCC(OC)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NO2S/c1-4-5-10(14-3)9(13)6-11-12-8(2)7-15-11/h7,10H,4-6H2,1-3H3
InChIKeyJIJCATYNBMHNBM-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.38
Rot. Bonds6

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

3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one (PubChem CID 116708274) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
PubChem CID116708274
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCCC(OC)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NO2S/c1-4-5-10(14-3)9(13)6-11-12-8(2)7-15-11/h7,10H,4-6H2,1-3H3
InChIKeyJIJCATYNBMHNBM-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 116708071
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
N-(2,2-dimethoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484412
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
CID 131842856
CID 131842856
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydroxyhexan-2-one
CID 103453966
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The IUPAC name of 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one (CID 116708274) is 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one.
What is the SMILES notation for 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The canonical SMILES for 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one is CCCC(OC)C(=O)Cc1nc(C)cs1.
What is the InChIKey of 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The InChIKey is JIJCATYNBMHNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-5-10(14-3)9(13)6-11-12-8(2)7-15-11/h7,10H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 227.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 116708274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).