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

C13H13NO3S — CID 112640629

IUPAC1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1cncs1
InChIInChI=1S/C13H13NO3S/c1-9(15)10-3-4-12(13(5-10)16-2)17-7-11-6-14-8-18-11/h3-6,8H,7H2,1-2H3
InChIKeyZPSYYBSFUGECIO-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.93
Rot. Bonds5

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

1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone (PubChem CID 112640629) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
PubChem CID112640629
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1cncs1
InChIInChI=1S/C13H13NO3S/c1-9(15)10-3-4-12(13(5-10)16-2)17-7-11-6-14-8-18-11/h3-6,8H,7H2,1-2H3
InChIKeyZPSYYBSFUGECIO-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

1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
1,3-thiazol-5-ylmethyl 2-amino-4,5-dimethoxybenzoate
CID 115979329
(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate
CID 54436622
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone (CID 112640629) is 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1cncs1.
What is the InChIKey of 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
The InChIKey is ZPSYYBSFUGECIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9(15)10-3-4-12(13(5-10)16-2)17-7-11-6-14-8-18-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone?
1-[3-methoxy-4-(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-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 112640629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).