5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C15H13NO2S2 — CID 75240741

IUPAC5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1(C)C=Cc2cc(C=C3SC(=S)NC3=O)ccc2O1
InChIInChI=1S/C15H13NO2S2/c1-15(2)6-5-10-7-9(3-4-11(10)18-15)8-12-13(17)16-14(19)20-12/h3-8H,1-2H3,(H,16,17,19)
InChIKeyWGOYLUBIADMZRO-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.36
Rot. Bonds1

About 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 75240741) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID75240741
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1(C)C=Cc2cc(C=C3SC(=S)NC3=O)ccc2O1
InChIInChI=1S/C15H13NO2S2/c1-15(2)6-5-10-7-9(3-4-11(10)18-15)8-12-13(17)16-14(19)20-12/h3-8H,1-2H3,(H,16,17,19)
InChIKeyWGOYLUBIADMZRO-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.36
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

(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2688418
(2S)-2-methyl-6-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-1,4-benzoxazin-3-one
CID 91084442
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1207359
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
CID 6993416
(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70684331
(5E)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 10223732
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691
(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 94654619
(5Z)-5-[(3-ethyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155163576
(5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1271002
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoic acid
CID 10513634

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 75240741) is 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CC1(C)C=Cc2cc(C=C3SC(=S)NC3=O)ccc2O1.
What is the InChIKey of 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WGOYLUBIADMZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-15(2)6-5-10-7-9(3-4-11(10)18-15)8-12-13(17)16-14(19)20-12/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylchromen-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 75240741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).