(5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C21H21FN2O2S — CID 118542179

IUPAC(5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccc(CO)cc2)S/C1=N/c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14(2)12-24-20(26)19(11-15-3-5-16(13-25)6-4-15)27-21(24)23-18-9-7-17(22)8-10-18/h3-11,14,25H,12-13H2,1-2H3/b19-11-,23-21+
InChIKeyUQMWMFCEVVNTLY-HUIWRNEVSA-N
MW384.48 g/mol
LogP4.58
Rot. Bonds5

About (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 118542179) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID118542179
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name(5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccc(CO)cc2)S/C1=N/c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14(2)12-24-20(26)19(11-15-3-5-16(13-25)6-4-15)27-21(24)23-18-9-7-17(22)8-10-18/h3-11,14,25H,12-13H2,1-2H3/b19-11-,23-21+
InChIKeyUQMWMFCEVVNTLY-HUIWRNEVSA-N
XLogP4.58
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(3-chlorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486580
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 144967472
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126253124
(5E)-5-[[4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126240616
(5E)-2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485896
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126244957
(5E)-5-[(4-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 8990732
ethyl 4-[(E)-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 22775365
(5E)-2-(2,4-difluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486139
(5Z)-5-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126098179
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126247204
(5Z)-2-(4-chlorophenyl)imino-5-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126089607

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 118542179) is (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccc(CO)cc2)S/C1=N/c1ccc(F)cc1.
What is the InChIKey of (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is UQMWMFCEVVNTLY-HUIWRNEVSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14(2)12-24-20(26)19(11-15-3-5-16(13-25)6-4-15)27-21(24)23-18-9-7-17(22)8-10-18/h3-11,14,25H,12-13H2,1-2H3/b19-11-,23-21+.
What are the key properties of (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
(5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 384.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-fluorophenyl)imino-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118542179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).