1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone

C15H17NO2S — CID 61227732

IUPAC1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C15H17NO2S/c1-10(2)15-16-12(9-19-15)8-18-14-7-5-4-6-13(14)11(3)17/h4-7,9-10H,8H2,1-3H3
InChIKeyQBCRMYMEXXLDND-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.05
Rot. Bonds5

About 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone

1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 61227732) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
PubChem CID61227732
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C15H17NO2S/c1-10(2)15-16-12(9-19-15)8-18-14-7-5-4-6-13(14)11(3)17/h4-7,9-10H,8H2,1-3H3
InChIKeyQBCRMYMEXXLDND-UHFFFAOYSA-N
XLogP4.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 63364149
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone (CID 61227732) is 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCc1csc(C(C)C)n1.
What is the InChIKey of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is QBCRMYMEXXLDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(2)15-16-12(9-19-15)8-18-14-7-5-4-6-13(14)11(3)17/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone?
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 275.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 61227732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).