1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone

C15H17NO2S — CID 95478159

IUPAC1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(OC(C)(C)C)cc2)cs1
InChIInChI=1S/C15H17NO2S/c1-10(17)14-16-13(9-19-14)11-5-7-12(8-6-11)18-15(2,3)4/h5-9H,1-4H3
InChIKeyZUZJNKAGYBUACL-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.19
Rot. Bonds3

About 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone

1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone (PubChem CID 95478159) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
PubChem CID95478159
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(OC(C)(C)C)cc2)cs1
InChIInChI=1S/C15H17NO2S/c1-10(17)14-16-13(9-19-14)11-5-7-12(8-6-11)18-15(2,3)4/h5-9H,1-4H3
InChIKeyZUZJNKAGYBUACL-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
2-chloro-1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 83969147
1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
CID 116867478
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
CID 116966354
1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
CID 82301037
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone (CID 95478159) is 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc(OC(C)(C)C)cc2)cs1.
What is the InChIKey of 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone?
The InChIKey is ZUZJNKAGYBUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(17)14-16-13(9-19-14)11-5-7-12(8-6-11)18-15(2,3)4/h5-9H,1-4H3.
What are the key properties of 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone?
1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone has a molecular weight of 275.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 95478159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).