2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol

C15H19NO2S — CID 162405755

IUPAC2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCN1C(C)=C(CCO)S/C1=C(\O)c1ccccc1
InChIInChI=1S/C15H19NO2S/c1-3-16-11(2)13(9-10-17)19-15(16)14(18)12-7-5-4-6-8-12/h4-8,17-18H,3,9-10H2,1-2H3/b15-14-
InChIKeyWSVXEMVJQQXBAO-PFONDFGASA-N
MW277.39 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol

2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 162405755) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID162405755
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCN1C(C)=C(CCO)S/C1=C(\O)c1ccccc1
InChIInChI=1S/C15H19NO2S/c1-3-16-11(2)13(9-10-17)19-15(16)14(18)12-7-5-4-6-8-12/h4-8,17-18H,3,9-10H2,1-2H3/b15-14-
InChIKeyWSVXEMVJQQXBAO-PFONDFGASA-N
XLogP3.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylpropan-2-one
CID 54284151
benzoic acid;bis(propan-1-ol)
CID 175024841
(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
CID 2061022
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1-phenylpropan-1-one;zirconium
CID 173295106
2-methylidene-1-phenylbutan-1-one
CID 11788458
2-phenylethanol;propanoic acid
CID 70495468
ethyl 2-oxo-2-phenylacetate
CID 15349
acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(3R,4S)-4-ethyl-1-phenacylpyrrolidine-3-carboxylic acid
CID 134296061

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 162405755) is 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol is CCN1C(C)=C(CCO)S/C1=C(\O)c1ccccc1.
What is the InChIKey of 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is WSVXEMVJQQXBAO-PFONDFGASA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-16-11(2)13(9-10-17)19-15(16)14(18)12-7-5-4-6-8-12/h4-8,17-18H,3,9-10H2,1-2H3/b15-14-.
What are the key properties of 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol?
2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 277.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 162405755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).