(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one

C14H8INO2S — CID 5377235

IUPAC(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1ccc(I)o1
InChIInChI=1S/C14H8INO2S/c15-12-7-6-10(18-12)8-11-13(17)16-14(19-11)9-4-2-1-3-5-9/h1-8H/b11-8-
InChIKeyYLMKSAKYQDVYAS-FLIBITNWSA-N
MW381.19 g/mol
LogP3.95
Rot. Bonds2

About (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one

(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one (PubChem CID 5377235) has the molecular formula C14H8INO2S and a molecular weight of 381.19 g/mol. Its IUPAC name is (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
PubChem CID5377235
Molecular FormulaC14H8INO2S
Molecular Weight381.19 g/mol
Exact Mass380.93
IUPAC Name(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1ccc(I)o1
InChIInChI=1S/C14H8INO2S/c15-12-7-6-10(18-12)8-11-13(17)16-14(19-11)9-4-2-1-3-5-9/h1-8H/b11-8-
InChIKeyYLMKSAKYQDVYAS-FLIBITNWSA-N
XLogP3.95
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 6528864
N-[5-[(5-iodofuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1360683
5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 175143349
(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 2278274
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281221
(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281220
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 1352038
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 788766
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 7206300
5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 3916048
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 750679

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one (CID 5377235) is (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)S/C1=C\c1ccc(I)o1.
What is the InChIKey of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The InChIKey is YLMKSAKYQDVYAS-FLIBITNWSA-N. The full InChI is InChI=1S/C14H8INO2S/c15-12-7-6-10(18-12)8-11-13(17)16-14(19-11)9-4-2-1-3-5-9/h1-8H/b11-8-.
What are the key properties of (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one?
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one has a molecular weight of 381.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 5377235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).