(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one

C20H17FN2OS — CID 5442104

IUPAC(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CC[C@@H](c3ccccc3)C2)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS/c21-17-8-6-14(7-9-17)12-18-19(24)22-20(25-18)23-11-10-16(13-23)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2/b18-12-/t16-/m1/s1
InChIKeyXUTYGSLLISSYSD-UWCCDQBKSA-N
MW352.43 g/mol
LogP4.29
Rot. Bonds2

About (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one

(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one (PubChem CID 5442104) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one
PubChem CID5442104
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CC[C@@H](c3ccccc3)C2)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS/c21-17-8-6-14(7-9-17)12-18-19(24)22-20(25-18)23-11-10-16(13-23)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2/b18-12-/t16-/m1/s1
InChIKeyXUTYGSLLISSYSD-UWCCDQBKSA-N
XLogP4.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.29
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'}

Analyze (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 17129549
2-(4-ethylpiperazin-1-yl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
CID 3900496
(5Z)-5-[(4-bromophenyl)methylidene]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 21369718
5-[(4-methylphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 2878422
(5E)-5-[(4-methylphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 11976631
(5Z)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazol-4-one
CID 19577004
(5Z)-5-[(4-methylphenyl)methylidene]-2-[(3S)-3-methylpiperidin-1-yl]-1,3-thiazol-4-one
CID 885255
(5E)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 17129558
(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one
CID 143842517
5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 4087189
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylpiperidin-1-yl)-1,3-thiazol-4-one
CID 76618674
5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one
CID 87686596

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one (CID 5442104) is (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one is O=C1N=C(N2CC[C@@H](c3ccccc3)C2)S/C1=C\c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one?
The InChIKey is XUTYGSLLISSYSD-UWCCDQBKSA-N. The full InChI is InChI=1S/C20H17FN2OS/c21-17-8-6-14(7-9-17)12-18-19(24)22-20(25-18)23-11-10-16(13-23)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2/b18-12-/t16-/m1/s1.
What are the key properties of (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one?
(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one has a molecular weight of 352.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 5442104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).