(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one

C17H13ClN2O2S — CID 162669692

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H13ClN2O2S/c18-11-3-1-2-10(8-11)14-7-6-13(22-14)9-15-16(21)20-17(23-15)19-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,19,20,21)/b15-9-
InChIKeyFKKTXEVOECNEIU-DHDCSXOGSA-N
MW344.82 g/mol
LogP4.32
Rot. Bonds3

About (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one (PubChem CID 162669692) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one
PubChem CID162669692
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H13ClN2O2S/c18-11-3-1-2-10(8-11)14-7-6-13(22-14)9-15-16(21)20-17(23-15)19-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,19,20,21)/b15-9-
InChIKeyFKKTXEVOECNEIU-DHDCSXOGSA-N
XLogP4.32
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one (CID 162669692) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one?
The InChIKey is FKKTXEVOECNEIU-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-11-3-1-2-10(8-11)14-7-6-13(22-14)9-15-16(21)20-17(23-15)19-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,19,20,21)/b15-9-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 162669692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).