5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

C18H14ClNO2S2 — CID 1342372

IUPAC5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(=Cc2cc(Cc3ccccc3Cl)ccc2O)SC1=S
InChIInChI=1S/C18H14ClNO2S2/c1-20-17(22)16(24-18(20)23)10-13-9-11(6-7-15(13)21)8-12-4-2-3-5-14(12)19/h2-7,9-10,21H,8H2,1H3
InChIKeyYECBEAARYAIMGJ-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.47
Rot. Bonds3

About 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1342372) has the molecular formula C18H14ClNO2S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1342372
Molecular FormulaC18H14ClNO2S2
Molecular Weight375.90 g/mol
Exact Mass375.02
IUPAC Name5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)C(=Cc2cc(Cc3ccccc3Cl)ccc2O)SC1=S
InChIInChI=1S/C18H14ClNO2S2/c1-20-17(22)16(24-18(20)23)10-13-9-11(6-7-15(13)21)8-12-4-2-3-5-14(12)19/h2-7,9-10,21H,8H2,1H3
InChIKeyYECBEAARYAIMGJ-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2901677
(5E)-5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2292195
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059845
(5E)-5-[(2-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2203940
3-benzyl-5-[(5-benzyl-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4524259
5-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3398351
(5Z)-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 96882328
(5Z)-5-[[2-hydroxy-5-[[4-hydroxy-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methyl]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132520886
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252407
5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1332393
5-[[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4972529
(5Z)-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059868

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1342372) is 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is CN1C(=O)C(=Cc2cc(Cc3ccccc3Cl)ccc2O)SC1=S.
What is the InChIKey of 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YECBEAARYAIMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S2/c1-20-17(22)16(24-18(20)23)10-13-9-11(6-7-15(13)21)8-12-4-2-3-5-14(12)19/h2-7,9-10,21H,8H2,1H3.
What are the key properties of 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 375.90 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1342372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).