1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone

C13H13NO3S — CID 112640642

IUPAC1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2cncs2)c1
InChIInChI=1S/C13H13NO3S/c1-9(15)12-4-3-10(16-2)5-13(12)17-7-11-6-14-8-18-11/h3-6,8H,7H2,1-2H3
InChIKeyLNUYMJBSCCXELW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.93
Rot. Bonds5

About 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone

1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone (PubChem CID 112640642) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
PubChem CID112640642
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2cncs2)c1
InChIInChI=1S/C13H13NO3S/c1-9(15)12-4-3-10(16-2)5-13(12)17-7-11-6-14-8-18-11/h3-6,8H,7H2,1-2H3
InChIKeyLNUYMJBSCCXELW-UHFFFAOYSA-N
XLogP2.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
(E)-3-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CID 115979059
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone (CID 112640642) is 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone is COc1ccc(C(C)=O)c(OCc2cncs2)c1.
What is the InChIKey of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
The InChIKey is LNUYMJBSCCXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9(15)12-4-3-10(16-2)5-13(12)17-7-11-6-14-8-18-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone has a molecular weight of 263.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 112640642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).