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

C10H15NO2S — CID 116708185

IUPAC3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
SMILESCCCC(OC)C(=O)Cc1cncs1
InChIInChI=1S/C10H15NO2S/c1-3-4-10(13-2)9(12)5-8-6-11-7-14-8/h6-7,10H,3-5H2,1-2H3
InChIKeyZCRMSBPYHFQABR-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.07
Rot. Bonds6

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

3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one (PubChem CID 116708185) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
PubChem CID116708185
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
SMILESCCCC(OC)C(=O)Cc1cncs1
InChIInChI=1S/C10H15NO2S/c1-3-4-10(13-2)9(12)5-8-6-11-7-14-8/h6-7,10H,3-5H2,1-2H3
InChIKeyZCRMSBPYHFQABR-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-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214343
1-(2,2,3,3-Tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one
CID 103473773
1-(1,3-Thiazol-5-yl)hexan-3-ol
CID 19417357
Methyl 3-(2-methoxythiazol-5-yl)propanoate
CID 68875409
1-(1,3-Thiazol-5-yl)butan-2-one
CID 112642239
1-(2-Tert-butyl-1,3-thiazol-5-yl)-3-hydroxypropan-2-one
CID 126628316
1-(2-Tert-butyl-1,3-thiazol-5-yl)-3-methoxypropan-2-one
CID 138485742
Sodium 2-oxo-3-(1,3-thiazol-5-yl)propanoate
CID 139891809
Ethane;1-(1,3-thiazol-5-yl)propan-2-one
CID 144482344
1-(2-Chloro-1,3-thiazol-5-yl)-3-methoxypropan-2-one
CID 173844630
Butyl 3-(1,3-thiazol-5-yl)propanoate
CID 174578373
5-(3-Propan-2-yloxypropyl)-1,3-thiazole
CID 176640210

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
The IUPAC name of 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one (CID 116708185) is 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one.
What is the SMILES notation for 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
The canonical SMILES for 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one is CCCC(OC)C(=O)Cc1cncs1.
What is the InChIKey of 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
The InChIKey is ZCRMSBPYHFQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-4-10(13-2)9(12)5-8-6-11-7-14-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
3-methoxy-1-(1,3-thiazol-5-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 3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one is sourced from PubChem (CID 116708185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).