N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

C16H10F2N2O3S — CID 5456861

IUPACN-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)S1
InChIInChI=1S/C16H10F2N2O3S/c1-8(21)19-16-20-15(22)14(24-16)7-10-3-5-13(23-10)11-4-2-9(17)6-12(11)18/h2-7H,1H3,(H,19,20,21,22)/b14-7+
InChIKeyMFUQWIWIAJSSOH-VGOFMYFVSA-N
MW348.33 g/mol
LogP3.33
Rot. Bonds2

About N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (PubChem CID 5456861) has the molecular formula C16H10F2N2O3S and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
PubChem CID5456861
Molecular FormulaC16H10F2N2O3S
Molecular Weight348.33 g/mol
Exact Mass348.04
IUPAC NameN-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)S1
InChIInChI=1S/C16H10F2N2O3S/c1-8(21)19-16-20-15(22)14(24-16)7-10-3-5-13(23-10)11-4-2-9(17)6-12(11)18/h2-7H,1H3,(H,19,20,21,22)/b14-7+
InChIKeyMFUQWIWIAJSSOH-VGOFMYFVSA-N
XLogP3.33
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Thioxo-5-((5-(3-(trifluoromethyl)PH)-2-furyl)methylene)-1,3-thiazolidin-4-one
CID 1275778
4-{5-[(Z)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-YL}benzoic acid
CID 5951796
Thiazolidin-4-one, 3-ethyl-2-ethylimino-5-[5-(4-fluorophenyl)furan-2-ylmethylene]-
CID 5292876
(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 1204893
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1129056
4-(5-{[2-(Acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
CID 1842529
5-({5-[3-(Trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazolidine-2,4-dion e
CID 1269477
4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzamide
CID 23647656
5-[1-[5-(3-Trifluoromethyl-phenyl)-furan-2-yl]-meth-(Z)-ylidene]-thiazolidine-2,4-dione
CID 1269478
2-(5-{[2-(Acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
CID 1824638
5-[5-(2,4-Difluorophenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 6089668

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (CID 5456861) is N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)S1.
What is the InChIKey of N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The InChIKey is MFUQWIWIAJSSOH-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H10F2N2O3S/c1-8(21)19-16-20-15(22)14(24-16)7-10-3-5-13(23-10)11-4-2-9(17)6-12(11)18/h2-7H,1H3,(H,19,20,21,22)/b14-7+.
What are the key properties of N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide has a molecular weight of 348.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5456861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).