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

C17H10ClN3O2S2 — CID 1348398

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9-,19-16-
InChIKeyJKKGUXPHBANSAW-MXOJYHIHSA-N
MW387.87 g/mol
LogP5.11
Rot. Bonds3

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

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1348398) has the molecular formula C17H10ClN3O2S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1348398
Molecular FormulaC17H10ClN3O2S2
Molecular Weight387.87 g/mol
Exact Mass386.99
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9-,19-16-
InChIKeyJKKGUXPHBANSAW-MXOJYHIHSA-N
XLogP5.11
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1348398) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is JKKGUXPHBANSAW-MXOJYHIHSA-N. The full InChI is InChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9-,19-16-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 387.87 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1348398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).