1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone

C10H15NO2S — CID 82440170

IUPAC1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
SMILESCCCc1nc(COC)c(C(C)=O)s1
InChIInChI=1S/C10H15NO2S/c1-4-5-9-11-8(6-13-3)10(14-9)7(2)12/h4-6H2,1-3H3
InChIKeyBRAXKFQOTOQOML-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone

1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82440170) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
PubChem CID82440170
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
SMILESCCCc1nc(COC)c(C(C)=O)s1
InChIInChI=1S/C10H15NO2S/c1-4-5-9-11-8(6-13-3)10(14-9)7(2)12/h4-6H2,1-3H3
InChIKeyBRAXKFQOTOQOML-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82441470
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carbohydrazide
CID 82440072
1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
CID 82438513
1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82440517
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
4-[(2,6-dimethylphenoxy)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226948
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone (CID 82440170) is 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone is CCCc1nc(COC)c(C(C)=O)s1.
What is the InChIKey of 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is BRAXKFQOTOQOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-5-9-11-8(6-13-3)10(14-9)7(2)12/h4-6H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone?
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 213.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82440170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).