(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

C14H11NO3S2 — CID 17496364

IUPAC(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cccc2cc(/C=C3\SC(=S)N(C)C3=O)oc12
InChIInChI=1S/C14H11NO3S2/c1-15-13(16)11(20-14(15)19)7-9-6-8-4-3-5-10(17-2)12(8)18-9/h3-7H,1-2H3/b11-7-
InChIKeyRTGYHARSJYLWFS-XFFZJAGNSA-N
MW305.38 g/mol
LogP3.27
Rot. Bonds2

About (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 17496364) has the molecular formula C14H11NO3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID17496364
Molecular FormulaC14H11NO3S2
Molecular Weight305.38 g/mol
Exact Mass305.02
IUPAC Name(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cccc2cc(/C=C3\SC(=S)N(C)C3=O)oc12
InChIInChI=1S/C14H11NO3S2/c1-15-13(16)11(20-14(15)19)7-9-6-8-4-3-5-10(17-2)12(8)18-9/h3-7H,1-2H3/b11-7-
InChIKeyRTGYHARSJYLWFS-XFFZJAGNSA-N
XLogP3.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1251620
(5Z)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 158965558
5-[[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2891108
(5Z)-5-[(3-ethoxy-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17472353
5-[[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2891004
5-[(3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2865365
(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24593806
5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4864358
5-[[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139814897
(5E)-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328545
5-[[2-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3646051
(5Z)-5-[[6-(2,3-dimethoxyphenyl)-3-pyridinyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 131972073

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 17496364) is (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cccc2cc(/C=C3\SC(=S)N(C)C3=O)oc12.
What is the InChIKey of (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RTGYHARSJYLWFS-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H11NO3S2/c1-15-13(16)11(20-14(15)19)7-9-6-8-4-3-5-10(17-2)12(8)18-9/h3-7H,1-2H3/b11-7-.
What are the key properties of (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 305.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 17496364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).