(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H20N2O2S2 — CID 6527072

IUPAC(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1
InChIInChI=1S/C19H20N2O2S2/c1-4-20(5-2)14-7-9-15(10-8-14)21-18(22)17(25-19(21)24)12-16-11-6-13(3)23-16/h6-12H,4-5H2,1-3H3/b17-12-
InChIKeyVXCPLXWTNUZQLE-ATVHPVEESA-N
MW372.52 g/mol
LogP4.84
Rot. Bonds5

About (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6527072) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6527072
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1
InChIInChI=1S/C19H20N2O2S2/c1-4-20(5-2)14-7-9-15(10-8-14)21-18(22)17(25-19(21)24)12-16-11-6-13(3)23-16/h6-12H,4-5H2,1-3H3/b17-12-
InChIKeyVXCPLXWTNUZQLE-ATVHPVEESA-N
XLogP4.84
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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)-3-(4-hydroxyphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1366139
5-[[4-(diethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2906289
4-[5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 4760589
2-[4-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetate
CID 7172420
5-[(4-bromophenyl)methylidene]-3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3110971
3-[4-(diethylamino)phenyl]-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3818873
5-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid
CID 2132864
5-[(5-methylfuran-2-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4692283
(5E)-3-(2,6-dimethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838956
5-[[4-(diethylamino)phenyl]methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2921015
2-[(Z)-[3-[4-(diethylamino)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 7559681
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328225

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6527072) is (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1.
What is the InChIKey of (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is VXCPLXWTNUZQLE-ATVHPVEESA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-4-20(5-2)14-7-9-15(10-8-14)21-18(22)17(25-19(21)24)12-16-11-6-13(3)23-16/h6-12H,4-5H2,1-3H3/b17-12-.
What are the key properties of (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 372.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6527072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).