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

C17H15ClN2O3S — CID 162657973

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCCO)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H15ClN2O3S/c18-12-4-1-3-11(9-12)14-6-5-13(23-14)10-15-16(22)20-17(24-15)19-7-2-8-21/h1,3-6,9-10,21H,2,7-8H2,(H,19,20,22)/b15-10-
InChIKeyRZWOIABDAFBWDX-GDNBJRDFSA-N
MW362.84 g/mol
LogP3.54
Rot. Bonds5

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one (PubChem CID 162657973) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
PubChem CID162657973
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\CCCO)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H15ClN2O3S/c18-12-4-1-3-11(9-12)14-6-5-13(23-14)10-15-16(22)20-17(24-15)19-7-2-8-21/h1,3-6,9-10,21H,2,7-8H2,(H,19,20,22)/b15-10-
InChIKeyRZWOIABDAFBWDX-GDNBJRDFSA-N
XLogP3.54
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one (CID 162657973) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one is O=C1N/C(=N\CCCO)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
The InChIKey is RZWOIABDAFBWDX-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-12-4-1-3-11(9-12)14-6-5-13(23-14)10-15-16(22)20-17(24-15)19-7-2-8-21/h1,3-6,9-10,21H,2,7-8H2,(H,19,20,22)/b15-10-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one has a molecular weight of 362.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 162657973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).