(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C19H18N2OS2 — CID 18838874

IUPAC(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCc1ccccc1N1C(=O)/C(=C(\C)c2ccc(N)cc2)SC1=S
InChIInChI=1S/C19H18N2OS2/c1-3-13-6-4-5-7-16(13)21-18(22)17(24-19(21)23)12(2)14-8-10-15(20)11-9-14/h4-11H,3,20H2,1-2H3/b17-12-
InChIKeyCGMGRRUYUUBGAD-ATVHPVEESA-N
MW354.50 g/mol
LogP4.63
Rot. Bonds3

About (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 18838874) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID18838874
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCc1ccccc1N1C(=O)/C(=C(\C)c2ccc(N)cc2)SC1=S
InChIInChI=1S/C19H18N2OS2/c1-3-13-6-4-5-7-16(13)21-18(22)17(24-19(21)23)12(2)14-8-10-15(20)11-9-14/h4-11H,3,20H2,1-2H3/b17-12-
InChIKeyCGMGRRUYUUBGAD-ATVHPVEESA-N
XLogP4.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 18838874) is (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCc1ccccc1N1C(=O)/C(=C(\C)c2ccc(N)cc2)SC1=S.
What is the InChIKey of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CGMGRRUYUUBGAD-ATVHPVEESA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-3-13-6-4-5-7-16(13)21-18(22)17(24-19(21)23)12(2)14-8-10-15(20)11-9-14/h4-11H,3,20H2,1-2H3/b17-12-.
What are the key properties of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 354.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 18838874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).