1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone

C16H17NO2S — CID 82437284

IUPAC1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCCOc1cccc(-c2nc(C3CC3)c(C(C)=O)s2)c1
InChIInChI=1S/C16H17NO2S/c1-3-19-13-6-4-5-12(9-13)16-17-14(11-7-8-11)15(20-16)10(2)18/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyGEHVEWVHWYVZNO-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.29
Rot. Bonds5

About 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone

1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82437284) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82437284
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCCOc1cccc(-c2nc(C3CC3)c(C(C)=O)s2)c1
InChIInChI=1S/C16H17NO2S/c1-3-19-13-6-4-5-12(9-13)16-17-14(11-7-8-11)15(20-16)10(2)18/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyGEHVEWVHWYVZNO-UHFFFAOYSA-N
XLogP4.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82437265
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101390
2-(3-ethoxyphenyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 143281441
(E)-3-[2-(3-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82430052
2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 171396657
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone (CID 82437284) is 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone is CCOc1cccc(-c2nc(C3CC3)c(C(C)=O)s2)c1.
What is the InChIKey of 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is GEHVEWVHWYVZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-3-19-13-6-4-5-12(9-13)16-17-14(11-7-8-11)15(20-16)10(2)18/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone?
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 287.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82437284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).