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

C10H15NO2S — CID 105118111

IUPAC5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
SMILESCOC(C)CCC(=O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-8(13-2)3-4-9(12)7-10-11-5-6-14-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyURVOVRCPECASBQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.07
Rot. Bonds6

About 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one

5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one (PubChem CID 105118111) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
PubChem CID105118111
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
SMILESCOC(C)CCC(=O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-8(13-2)3-4-9(12)7-10-11-5-6-14-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyURVOVRCPECASBQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103023379
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
1-(4-ethylphenyl)-5-methoxyhexan-2-one
CID 105081808
1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 157253743
1-(4-iodophenyl)-5-methoxyhexan-2-one
CID 105103190
6,6-dimethyl-1-(1,3-thiazol-2-yl)heptane-2,4-dione
CID 58474334
4-(3-methylphenyl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 105118053
4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one?
The IUPAC name of 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one (CID 105118111) is 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one.
What is the SMILES notation for 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one?
The canonical SMILES for 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one is COC(C)CCC(=O)Cc1nccs1.
What is the InChIKey of 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one?
The InChIKey is URVOVRCPECASBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(13-2)3-4-9(12)7-10-11-5-6-14-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one?
5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 213.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 105118111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).