(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C9H8N2OS2 — CID 146674278

IUPAC(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2sccc2C)S1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-13-6(5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-
InChIKeyNFDAWATZLGKCQD-DAXSKMNVSA-N
MW224.31 g/mol
LogP2.20
Rot. Bonds1

About (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 146674278) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID146674278
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2sccc2C)S1
InChIInChI=1S/C9H8N2OS2/c1-5-2-3-13-6(5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-
InChIKeyNFDAWATZLGKCQD-DAXSKMNVSA-N
XLogP2.20
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
2-Imino-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1224851
(5Z)-2-imino-5-[(5-phenylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137630113
N-{(2E,5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}acetamide
CID 1227506
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685
(2E,5Z)-3-methyl-2-(methylimino)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1254723
(5Z)-2-imino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 145924197
(5Z)-2-imino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 172017816
(5E)-2-mercapto-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CID 1269595
CID 171127509
CID 171127509
CID 172016015
CID 172016015

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 146674278) is (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2sccc2C)S1.
What is the InChIKey of (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NFDAWATZLGKCQD-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-2-3-13-6(5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)/b7-4-.
What are the key properties of (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 224.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 146674278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).