3-(3-phenoxypropyl)-1,3-thiazol-2-one

C12H13NO2S — CID 115646841

IUPAC3-(3-phenoxypropyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCOc1ccccc1
InChIInChI=1S/C12H13NO2S/c14-12-13(8-10-16-12)7-4-9-15-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2
InChIKeyHQLPJKLUSLDMMT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.38
Rot. Bonds5

About 3-(3-phenoxypropyl)-1,3-thiazol-2-one

3-(3-phenoxypropyl)-1,3-thiazol-2-one (PubChem CID 115646841) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(3-phenoxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-phenoxypropyl)-1,3-thiazol-2-one
PubChem CID115646841
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-(3-phenoxypropyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCOc1ccccc1
InChIInChI=1S/C12H13NO2S/c14-12-13(8-10-16-12)7-4-9-15-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2
InChIKeyHQLPJKLUSLDMMT-UHFFFAOYSA-N
XLogP2.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenoxypropyl)pyrrole-2-carboxylic acid
CID 62381154
2-(3-phenoxypropyl)isoindole
CID 23727767
5-iodo-3-(3-phenoxypropyl)pyrimidin-4-one
CID 66310566
1-ethyl-3-(2-phenoxyethyl)imidazol-2-one
CID 116624118
1-(3-phenoxypropyl)pyrazole
CID 55028379
2-[1-(3-phenoxypropyl)imidazol-2-yl]sulfanylacetic acid
CID 62380046
4-fluoro-1-(3-phenoxypropyl)indole
CID 82792007
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
4-(3-phenoxypropyl)-1H-1,2,4-triazole-5-thione
CID 62380786
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-phenoxypropyl)-1,3-thiazol-2-one (CID 115646841) is 3-(3-phenoxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-phenoxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-phenoxypropyl)-1,3-thiazol-2-one is O=c1sccn1CCCOc1ccccc1.
What is the InChIKey of 3-(3-phenoxypropyl)-1,3-thiazol-2-one?
The InChIKey is HQLPJKLUSLDMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c14-12-13(8-10-16-12)7-4-9-15-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2.
What are the key properties of 3-(3-phenoxypropyl)-1,3-thiazol-2-one?
3-(3-phenoxypropyl)-1,3-thiazol-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115646841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).