(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one

C18H18N2OS2 — CID 141134758

IUPAC(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one
SMILESCN(/C=C1\SC(S)N(Cc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H18N2OS2/c1-19(15-10-6-3-7-11-15)13-16-17(21)20(18(22)23-16)12-14-8-4-2-5-9-14/h2-11,13,18,22H,12H2,1H3/b16-13-
InChIKeyHUEVPDKASLBGJH-SSZFMOIBSA-N
MW342.49 g/mol
LogP3.95
Rot. Bonds4

About (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one

(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one (PubChem CID 141134758) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one
PubChem CID141134758
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one
SMILESCN(/C=C1\SC(S)N(Cc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H18N2OS2/c1-19(15-10-6-3-7-11-15)13-16-17(21)20(18(22)23-16)12-14-8-4-2-5-9-14/h2-11,13,18,22H,12H2,1H3/b16-13-
InChIKeyHUEVPDKASLBGJH-SSZFMOIBSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one (CID 141134758) is (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one is CN(/C=C1\SC(S)N(Cc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one?
The InChIKey is HUEVPDKASLBGJH-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-19(15-10-6-3-7-11-15)13-16-17(21)20(18(22)23-16)12-14-8-4-2-5-9-14/h2-11,13,18,22H,12H2,1H3/b16-13-.
What are the key properties of (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one?
(5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one has a molecular weight of 342.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(N-methylanilino)methylidene]-2-sulfanyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 141134758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).