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

C9H8N2O2S — CID 155899188

IUPAC2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(C)o2)S1
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)
InChIKeyHUANHNHOVBDLJJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.73
Rot. Bonds1

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

2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 155899188) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID155899188
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(C)o2)S1
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)
InChIKeyHUANHNHOVBDLJJ-UHFFFAOYSA-N
XLogP1.73
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.73
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

(5Z)-5-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376614
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
CID 137349058
2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 173014269
5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128372
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778143
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154735586
5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2886693
2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 171128800
2-(2-fluorophenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135522961
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804392
5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 140682660

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 155899188) is 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2ccc(C)o2)S1.
What is the InChIKey of 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HUANHNHOVBDLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12).
What are the key properties of 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 208.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155899188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).