2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one

C14H15FN2OS — CID 3771227

IUPAC2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
SMILESCCN(CC)C1=NC(=O)C(=Cc2ccc(F)cc2)S1
InChIInChI=1S/C14H15FN2OS/c1-3-17(4-2)14-16-13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyORKXTGFWYBKNJW-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.14
Rot. Bonds3

About 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one

2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 3771227) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
PubChem CID3771227
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
SMILESCCN(CC)C1=NC(=O)C(=Cc2ccc(F)cc2)S1
InChIInChI=1S/C14H15FN2OS/c1-3-17(4-2)14-16-13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyORKXTGFWYBKNJW-UHFFFAOYSA-N
XLogP3.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one
CID 69014599
3-(N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]anilino)propanoic acid
CID 102334343
2-(4-ethylpiperazin-1-yl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
CID 3900496
(5E)-2-(N-phenylanilino)-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-thiazol-4-one
CID 58795339
2-(azepan-1-yl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazol-4-one
CID 3747802
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 684176
(5E)-5-benzylidene-2-(N-methylanilino)-1,3-thiazol-4-one
CID 2249423
(5Z)-2-[ethyl(ethylamino)amino]-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 143842454
3-[4-(diethylamino)phenyl]-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3818873
(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 17129549
2-(4-acetylpiperazin-1-yl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazol-4-one
CID 3143539
5-[(4-fluorophenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1324112

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one (CID 3771227) is 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one is CCN(CC)C1=NC(=O)C(=Cc2ccc(F)cc2)S1.
What is the InChIKey of 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is ORKXTGFWYBKNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-3-17(4-2)14-16-13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one?
2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 278.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 3771227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).