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

C17H19NO2S — CID 82436503

IUPAC1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1cccc(OCc2nc(C3CC3)c(C(C)=O)s2)c1
InChIInChI=1S/C17H19NO2S/c1-3-12-5-4-6-14(9-12)20-10-15-18-16(13-7-8-13)17(21-15)11(2)19/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyFIFQVTBUBHDJIH-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.36
Rot. Bonds6

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

1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82436503) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82436503
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1cccc(OCc2nc(C3CC3)c(C(C)=O)s2)c1
InChIInChI=1S/C17H19NO2S/c1-3-12-5-4-6-14(9-12)20-10-15-18-16(13-7-8-13)17(21-15)11(2)19/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyFIFQVTBUBHDJIH-UHFFFAOYSA-N
XLogP4.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82437515
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82436415
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 82225632

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone (CID 82436503) is 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone is CCc1cccc(OCc2nc(C3CC3)c(C(C)=O)s2)c1.
What is the InChIKey of 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is FIFQVTBUBHDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-12-5-4-6-14(9-12)20-10-15-18-16(13-7-8-13)17(21-15)11(2)19/h4-6,9,13H,3,7-8,10H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 301.41 g/mol, XLogP of 4.36, 6 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-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82436503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).