(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C16H11NO2S2 — CID 6005649

IUPAC(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H11NO2S2/c18-15-14(21-16(20)17-15)10-11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-10H,(H,17,18,20)/b14-10-
InChIKeySKRSSNZOVQMETG-UVTDQMKNSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds3

About (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6005649) has the molecular formula C16H11NO2S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6005649
Molecular FormulaC16H11NO2S2
Molecular Weight313.40 g/mol
Exact Mass313.02
IUPAC Name(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H11NO2S2/c18-15-14(21-16(20)17-15)10-11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-10H,(H,17,18,20)/b14-10-
InChIKeySKRSSNZOVQMETG-UVTDQMKNSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.97
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

(5E)-5-[4-(benzyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
CID 5751075
5-(3-Methoxybenzylidene)thiazolidine-2,4-dione
CID 1243769
5-(3-Phenoxybenzylidene)thiazolidine-2,4-dione
CID 1350369
5-(4-Methoxybenzylidene)rhodanine
CID 2787034
5-(p-Methoxybenzylidene)rhodanine
CID 1241606
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
5-(3-(Trifluoromethoxy)benzylidene)thiazolidine-2,4-dione
CID 9965755
(5Z)-5-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25185171
5-[3-(Benzyloxy)-4-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 1350270
(5E)-2-mercapto-5-(4-methoxybenzylidene)-1,3-thiazol-4(5H)-one
CID 1241605
5-[(3-Methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3095430

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6005649) is (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SKRSSNZOVQMETG-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11NO2S2/c18-15-14(21-16(20)17-15)10-11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-10H,(H,17,18,20)/b14-10-.
What are the key properties of (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 313.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6005649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).