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

C23H18N2O2S — CID 118542137

IUPAC(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(CO)cc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-16-18-13-11-17(12-14-18)15-21-22(27)25(20-9-5-2-6-10-20)23(28-21)24-19-7-3-1-4-8-19/h1-15,26H,16H2/b21-15-,24-23-
InChIKeyUPZHZNICYOTGKK-YACCPEJUSA-N
MW386.48 g/mol
LogP4.99
Rot. Bonds4

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

(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 118542137) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID118542137
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(CO)cc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-16-18-13-11-17(12-14-18)15-21-22(27)25(20-9-5-2-6-10-20)23(28-21)24-19-7-3-1-4-8-19/h1-15,26H,16H2/b21-15-,24-23-
InChIKeyUPZHZNICYOTGKK-YACCPEJUSA-N
XLogP4.99
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.99
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

(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 144967472
(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 1382344
5-[[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 76659779
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5E)-5-[[4-(furan-2-yl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 44515522
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403
4-[[2-bromo-4-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 126097144
propan-2-yl 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 126193059
2-[4-(aminomethyl)phenyl]imino-5-[[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 76659778
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126091341
4-[[2,6-dichloro-4-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 126084399
3-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846546

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 118542137) is (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(CO)cc2)S/C(=N\c2ccccc2)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UPZHZNICYOTGKK-YACCPEJUSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-16-18-13-11-17(12-14-18)15-21-22(27)25(20-9-5-2-6-10-20)23(28-21)24-19-7-3-1-4-8-19/h1-15,26H,16H2/b21-15-,24-23-.
What are the key properties of (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 386.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 118542137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).