(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one

C14H13FN2O3S — CID 143842517

IUPAC(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCC(O)C2)S/C1=C\c1cc(F)ccc1O
InChIInChI=1S/C14H13FN2O3S/c15-9-1-2-11(19)8(5-9)6-12-13(20)16-14(21-12)17-4-3-10(18)7-17/h1-2,5-6,10,18-19H,3-4,7H2/b12-6-
InChIKeyFABVETZKIKFOGI-SDQBBNPISA-N
MW308.33 g/mol
LogP1.57
Rot. Bonds1

About (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one

(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one (PubChem CID 143842517) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one
PubChem CID143842517
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCC(O)C2)S/C1=C\c1cc(F)ccc1O
InChIInChI=1S/C14H13FN2O3S/c15-9-1-2-11(19)8(5-9)6-12-13(20)16-14(21-12)17-4-3-10(18)7-17/h1-2,5-6,10,18-19H,3-4,7H2/b12-6-
InChIKeyFABVETZKIKFOGI-SDQBBNPISA-N
XLogP1.57
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-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

(5Z)-2-[3-(dimethylamino)pyrrolidin-1-yl]-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 87522323
(5Z)-2-[3-(diethylamino)pyrrolidin-1-yl]-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 70954079
tert-butyl N-[1-[(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]pyrrolidin-3-yl]carbamate
CID 143842334
(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 70951020
(5Z)-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 70951051
(5Z)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one;ethane
CID 143842439
(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]-1,3-thiazol-4-one
CID 143842359
(4E)-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-5-one
CID 70954076
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 5214441
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 71961761
5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-one
CID 68628170
4-fluoro-2-[(4-imino-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenol
CID 136625726

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one (CID 143842517) is (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one is O=C1N=C(N2CCC(O)C2)S/C1=C\c1cc(F)ccc1O.
What is the InChIKey of (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one?
The InChIKey is FABVETZKIKFOGI-SDQBBNPISA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-9-1-2-11(19)8(5-9)6-12-13(20)16-14(21-12)17-4-3-10(18)7-17/h1-2,5-6,10,18-19H,3-4,7H2/b12-6-.
What are the key properties of (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one?
(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one has a molecular weight of 308.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 143842517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).