1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone

C11H15NO3S — CID 116748666

IUPAC1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2cncs2)CCOCC1
InChIInChI=1S/C11H15NO3S/c1-14-11(2-4-15-5-3-11)10(13)6-9-7-12-8-16-9/h7-8H,2-6H2,1H3
InChIKeyMLRBKAUOKHVFGD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.45
Rot. Bonds4

About 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116748666) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116748666
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2cncs2)CCOCC1
InChIInChI=1S/C11H15NO3S/c1-14-11(2-4-15-5-3-11)10(13)6-9-7-12-8-16-9/h7-8H,2-6H2,1H3
InChIKeyMLRBKAUOKHVFGD-UHFFFAOYSA-N
XLogP1.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641803
1-(4-methoxyoxan-4-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116748665
1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone
CID 116748642
1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116570016
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116706997
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777752

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 116748666) is 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone is COC1(C(=O)Cc2cncs2)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is MLRBKAUOKHVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-14-11(2-4-15-5-3-11)10(13)6-9-7-12-8-16-9/h7-8H,2-6H2,1H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 241.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116748666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).