(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C15H11NOS2 — CID 2262352

IUPAC(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S
InChIInChI=1S/C15H11NOS2/c1-16-14(17)13(19-15(16)18)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3/b13-9-
InChIKeyKWIMSIITCVUUPX-LCYFTJDESA-N
MW285.39 g/mol
LogP3.67
Rot. Bonds1

About (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2262352) has the molecular formula C15H11NOS2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2262352
Molecular FormulaC15H11NOS2
Molecular Weight285.39 g/mol
Exact Mass285.03
IUPAC Name(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S
InChIInChI=1S/C15H11NOS2/c1-16-14(17)13(19-15(16)18)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3/b13-9-
InChIKeyKWIMSIITCVUUPX-LCYFTJDESA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one
CID 5757257
5-(Naphthylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1526876
[(5Z)-5-(naphthalen-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CID 1368832
2-[(5Z)-5-(1-naphthylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
CID 1201233
3-[(5E)-5-(naphthalen-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 8282517
(Z)-3-Methyl-5-(2''-methylbenzylidene)-2-thioxothiazolidin-4-one
CID 1351103
(5Z)-5-(biphenyl-4-ylmethylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 16475551
CID 1549831
CID 1549831
(5Z)-5-(biphenyl-4-ylmethylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
CID 2510940
(Z)-5-(Naphthalen-2''-ylmethylene)thiazolidine-2,4-dione
CID 6249565
(5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione
CID 56950307
(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2290404

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2262352) is (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S.
What is the InChIKey of (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KWIMSIITCVUUPX-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11NOS2/c1-16-14(17)13(19-15(16)18)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3/b13-9-.
What are the key properties of (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 285.39 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2262352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).