(5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C15H18N2OS2 — CID 2732121

IUPAC(5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(N2C(=O)/C(=C/N(C)C)SC2=S)cc1
InChIInChI=1S/C15H18N2OS2/c1-10(2)11-5-7-12(8-6-11)17-14(18)13(9-16(3)4)20-15(17)19/h5-10H,1-4H3/b13-9-
InChIKeyYMJFGYOKXBCJOT-LCYFTJDESA-N
MW306.46 g/mol
LogP3.58
Rot. Bonds3

About (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2732121) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2732121
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(N2C(=O)/C(=C/N(C)C)SC2=S)cc1
InChIInChI=1S/C15H18N2OS2/c1-10(2)11-5-7-12(8-6-11)17-14(18)13(9-16(3)4)20-15(17)19/h5-10H,1-4H3/b13-9-
InChIKeyYMJFGYOKXBCJOT-LCYFTJDESA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.58
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

5-(4-(Dimethylamino)benzylidene)rhodanine
CID 2723826
4-Dimethylaminobenzylidenerhodanine
CID 1273211
4-Thiazolidinone, 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
CID 3034543
p-Dimethylaminobenzalrhodanine
CID 1273212
5-{[4-(Dimethylamino)phenyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1641793
3-p-Tolylrhodanine
CID 99568
4-Thiazolidinone, 5-((4-(diethylamino)phenyl)methylene)-2-thioxo-
CID 1237173
5-(4-Diethylaminobenzylidene)rhodanine
CID 1237172
(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
CID 3124665
3-ethyl-5-[3-(N-methylanilino)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 327529
Rhodanine, 5-(p-acetamidobenzylidene)-
CID 5751613
3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752653

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2732121) is (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CC(C)c1ccc(N2C(=O)/C(=C/N(C)C)SC2=S)cc1.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YMJFGYOKXBCJOT-LCYFTJDESA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10(2)11-5-7-12(8-6-11)17-14(18)13(9-16(3)4)20-15(17)19/h5-10H,1-4H3/b13-9-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 306.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).