3-(2-phenylpropoxy)-1,2-thiazole

C12H13NOS — CID 174431674

IUPAC3-(2-phenylpropoxy)-1,2-thiazole
SMILESCC(COc1ccsn1)c1ccccc1
InChIInChI=1S/C12H13NOS/c1-10(11-5-3-2-4-6-11)9-14-12-7-8-15-13-12/h2-8,10H,9H2,1H3
InChIKeyGSYXYXFEMMLTBJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.33
Rot. Bonds4

About 3-(2-phenylpropoxy)-1,2-thiazole

3-(2-phenylpropoxy)-1,2-thiazole (PubChem CID 174431674) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(2-phenylpropoxy)-1,2-thiazole.

Molecular Properties

Compound Name3-(2-phenylpropoxy)-1,2-thiazole
PubChem CID174431674
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name3-(2-phenylpropoxy)-1,2-thiazole
SMILESCC(COc1ccsn1)c1ccccc1
InChIInChI=1S/C12H13NOS/c1-10(11-5-3-2-4-6-11)9-14-12-7-8-15-13-12/h2-8,10H,9H2,1H3
InChIKeyGSYXYXFEMMLTBJ-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
2-phenylpropyl 2-methylpropanoate
CID 576240
1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane
CID 145463800
N-oxo-2-(2-phenylpropoxy)pyridine-4-carboxamide
CID 89174231
bis(2-phenylpropoxy)methanol
CID 89428538
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2R)-2-phenylpropyl] carbamate
CID 175384997
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
[dimethyl(2-phenylpropyl)silyl]oxy-(2,2-diphenylethyl)-dimethylsilane
CID 71420564
2-phenylpropyl sulfite
CID 123803116

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropoxy)-1,2-thiazole?
The IUPAC name of 3-(2-phenylpropoxy)-1,2-thiazole (CID 174431674) is 3-(2-phenylpropoxy)-1,2-thiazole.
What is the SMILES notation for 3-(2-phenylpropoxy)-1,2-thiazole?
The canonical SMILES for 3-(2-phenylpropoxy)-1,2-thiazole is CC(COc1ccsn1)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropoxy)-1,2-thiazole?
The InChIKey is GSYXYXFEMMLTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-10(11-5-3-2-4-6-11)9-14-12-7-8-15-13-12/h2-8,10H,9H2,1H3.
What are the key properties of 3-(2-phenylpropoxy)-1,2-thiazole?
3-(2-phenylpropoxy)-1,2-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropoxy)-1,2-thiazole is sourced from PubChem (CID 174431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).