3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one

C14H15NO2S — CID 62034527

IUPAC3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
SMILESCC(=O)C(C)Oc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-9-8-18-14(15-9)12-4-6-13(7-5-12)17-11(3)10(2)16/h4-8,11H,1-3H3
InChIKeyZCAUMEDAJNNQSP-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.47
Rot. Bonds4

About 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one

3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one (PubChem CID 62034527) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one.

Molecular Properties

Compound Name3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
PubChem CID62034527
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
SMILESCC(=O)C(C)Oc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-9-8-18-14(15-9)12-4-6-13(7-5-12)17-11(3)10(2)16/h4-8,11H,1-3H3
InChIKeyZCAUMEDAJNNQSP-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetic acid
CID 79357223
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
CID 43536243
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
(3R)-3-[4-[(2S)-3-oxobutan-2-yl]oxyphenoxy]butan-2-one
CID 1489408
3-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-one
CID 60623850
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
[(2R)-3-oxobutan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 39967446
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one?
The IUPAC name of 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one (CID 62034527) is 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one.
What is the SMILES notation for 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one?
The canonical SMILES for 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one is CC(=O)C(C)Oc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one?
The InChIKey is ZCAUMEDAJNNQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-8-18-14(15-9)12-4-6-13(7-5-12)17-11(3)10(2)16/h4-8,11H,1-3H3.
What are the key properties of 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one?
3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one has a molecular weight of 261.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one is sourced from PubChem (CID 62034527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).