5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one

C16H21NO2S — CID 111470013

IUPAC5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one
SMILESCCc1sc(=O)n(CCCCCO)c1-c1ccccc1
InChIInChI=1S/C16H21NO2S/c1-2-14-15(13-9-5-3-6-10-13)17(16(19)20-14)11-7-4-8-12-18/h3,5-6,9-10,18H,2,4,7-8,11-12H2,1H3
InChIKeyLCYHGRXSKFUXFU-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.30
Rot. Bonds7

About 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one

5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one (PubChem CID 111470013) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one
PubChem CID111470013
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one
SMILESCCc1sc(=O)n(CCCCCO)c1-c1ccccc1
InChIInChI=1S/C16H21NO2S/c1-2-14-15(13-9-5-3-6-10-13)17(16(19)20-14)11-7-4-8-12-18/h3,5-6,9-10,18H,2,4,7-8,11-12H2,1H3
InChIKeyLCYHGRXSKFUXFU-UHFFFAOYSA-N
XLogP3.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one
CID 71852640
2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
CID 92936565
4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol
CID 3766985
3-undecyl-1,3-benzothiazol-2-one
CID 18823318
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
4-[4-(4-chlorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286990
2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936564
dihydroxy(oxo)phosphanium;1-heptyl-3,4,5-triphenylimidazol-2-one
CID 70278239
sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride
CID 173291482
benzoic acid;tridecan-1-ol
CID 67710151
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one?
The IUPAC name of 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one (CID 111470013) is 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one?
The canonical SMILES for 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one is CCc1sc(=O)n(CCCCCO)c1-c1ccccc1.
What is the InChIKey of 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one?
The InChIKey is LCYHGRXSKFUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-14-15(13-9-5-3-6-10-13)17(16(19)20-14)11-7-4-8-12-18/h3,5-6,9-10,18H,2,4,7-8,11-12H2,1H3.
What are the key properties of 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one?
5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one has a molecular weight of 291.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(5-hydroxypentyl)-4-phenyl-1,3-thiazol-2-one is sourced from PubChem (CID 111470013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).