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

C17H9F2N3O2S2 — CID 1255762

IUPAC(5Z)-5-[[5-(2,4-difluorophenyl)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(-c3ccc(F)cc3F)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H9F2N3O2S2/c18-9-1-3-11(12(19)7-9)13-4-2-10(24-13)8-14-15(23)22(16(20)26-14)17-21-5-6-25-17/h1-8,20H/b14-8-,20-16-
InChIKeyRZQXBOVCRYBWPJ-JWQHHXQUSA-N
MW389.41 g/mol
LogP4.74
Rot. Bonds3

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

(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1255762) has the molecular formula C17H9F2N3O2S2 and a molecular weight of 389.41 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1255762
Molecular FormulaC17H9F2N3O2S2
Molecular Weight389.41 g/mol
Exact Mass389.01
IUPAC Name(5Z)-5-[[5-(2,4-difluorophenyl)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(-c3ccc(F)cc3F)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H9F2N3O2S2/c18-9-1-3-11(12(19)7-9)13-4-2-10(24-13)8-14-15(23)22(16(20)26-14)17-21-5-6-25-17/h1-8,20H/b14-8-,20-16-
InChIKeyRZQXBOVCRYBWPJ-JWQHHXQUSA-N
XLogP4.74
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.74
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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Related Compounds

(5Z)-5-(2-furylmethylene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 5953874
2-hydroxy-5-(5-{[(5Z)-2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
CID 5292405
(5Z)-5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-imino-3-thiazol-2-yl-thiazolidin-4-one
CID 1348398
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3155704
5-(2-Furylmethylene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 7918703
(5Z)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1202693
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
(5Z)-5-{[5-(2-fluorophenyl)furan-2-yl]methylidene}-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1202689
(5Z)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1258922
(5Z)-2-imino-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 5292591
5-chloro-2-(5-{(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
CID 5292299
2-methyl-N-(1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 6492553

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1255762) is (5Z)-5-[[5-(2,4-difluorophenyl)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-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,4-difluorophenyl)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(-c3ccc(F)cc3F)o2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is RZQXBOVCRYBWPJ-JWQHHXQUSA-N. The full InChI is InChI=1S/C17H9F2N3O2S2/c18-9-1-3-11(12(19)7-9)13-4-2-10(24-13)8-14-15(23)22(16(20)26-14)17-21-5-6-25-17/h1-8,20H/b14-8-,20-16-.
What are the key properties of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 389.41 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1255762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).