(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H13NO2S2 — CID 2139159

IUPAC(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S
InChIInChI=1S/C15H13NO2S2/c1-2-16-14(17)13(20-15(16)19)8-10-7-11-5-3-4-6-12(11)18-9-10/h3-8H,2,9H2,1H3/b13-8-
InChIKeyHJFOKYACRIHKSC-JYRVWZFOSA-N
MW303.41 g/mol
LogP3.23
Rot. Bonds2

About (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2139159) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2139159
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S
InChIInChI=1S/C15H13NO2S2/c1-2-16-14(17)13(20-15(16)19)8-10-7-11-5-3-4-6-12(11)18-9-10/h3-8H,2,9H2,1H3/b13-8-
InChIKeyHJFOKYACRIHKSC-JYRVWZFOSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
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

3-(2-Aminoethyl)-5-[(4-ethoxyphenyl)methylene]-2,4-thiazolidinedione
CID 3377241
[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid
CID 1201321
2-(5-(4-(Benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
CID 1383990
(Z)-3-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
CID 1611092
(5Z)-5-((2-Methoxyphenyl)methylene)-2-thioxo-4-thiazolidinone
CID 1206905
3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1922279
(5E)-3-methyl-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 11947595
{(5E)-5-[3-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
CID 1201320
(Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 1249836
5-[(2-Ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2859659
5-(2-Methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 3004477
CID 71552278
CID 71552278

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2139159) is (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S.
What is the InChIKey of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HJFOKYACRIHKSC-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-2-16-14(17)13(20-15(16)19)8-10-7-11-5-3-4-6-12(11)18-9-10/h3-8H,2,9H2,1H3/b13-8-.
What are the key properties of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2139159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).