3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione

C12H11FN2OS2 — CID 4075496

IUPAC3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=S
InChIInChI=1S/C12H11FN2OS2/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+
InChIKeyUVGIGBKCKUDRIB-VGOFMYFVSA-N
MW282.37 g/mol
LogP3.89
Rot. Bonds3

About 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione

3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 4075496) has the molecular formula C12H11FN2OS2 and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID4075496
Molecular FormulaC12H11FN2OS2
Molecular Weight282.37 g/mol
Exact Mass282.03
IUPAC Name3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=S
InChIInChI=1S/C12H11FN2OS2/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+
InChIKeyUVGIGBKCKUDRIB-VGOFMYFVSA-N
XLogP3.89
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
CID 170221
(E)-3-ethyl-5-((phenylamino)methylene)thiazolidine-2,4-dione
CID 1416942
3-Ethyl-5-[(phenylamino)methylene]-2-thioxo-1,3-oxazolidin-4-one
CID 644817
5-[(Phenylamino)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1870876
2-[5-(Anilinomethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
CID 2831516
(5Z)-5-(anilinomethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4274100
3-Ethyl-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135400590
3-Butyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451622
4-Thiazolidinone, 5-[(phenylamino)methylene]-2-thioxo-
CID 2838364
3-Ethyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451167
5-((1H-Indol-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
CID 349343
(5E)-3-methyl-5-[(phenylamino)methylidene]-2-thioxo-1,3-oxazolidin-4-one
CID 3850036

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione (CID 4075496) is 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione is CCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=S.
What is the InChIKey of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is UVGIGBKCKUDRIB-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11FN2OS2/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+.
What are the key properties of 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 282.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 4075496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).