N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide

C17H11F3N2O4S — CID 5292765

IUPACN-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)S1
InChIInChI=1S/C17H11F3N2O4S/c1-9(23)21-16-22-15(24)14(27-16)8-12-6-7-13(25-12)10-2-4-11(5-3-10)26-17(18,19)20/h2-8H,1H3,(H,21,22,23,24)/b14-8-
InChIKeyNHDWJGXERCDXFP-ZSOIEALJSA-N
MW396.35 g/mol
LogP3.95
Rot. Bonds3

About N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide

N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide (PubChem CID 5292765) has the molecular formula C17H11F3N2O4S and a molecular weight of 396.35 g/mol. Its IUPAC name is N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide
PubChem CID5292765
Molecular FormulaC17H11F3N2O4S
Molecular Weight396.35 g/mol
Exact Mass396.04
IUPAC NameN-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)S1
InChIInChI=1S/C17H11F3N2O4S/c1-9(23)21-16-22-15(24)14(27-16)8-12-6-7-13(25-12)10-2-4-11(5-3-10)26-17(18,19)20/h2-8H,1H3,(H,21,22,23,24)/b14-8-
InChIKeyNHDWJGXERCDXFP-ZSOIEALJSA-N
XLogP3.95
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(5-{[2-(Acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
CID 1842529
(5Z)-2-[(4-hydroxyphenyl)methylimino]-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 162650501
N-[(2Z,5E)-5-{[5-(2-fluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]propanamide
CID 5292308
(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 137630222
(5Z)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 137630227
CID 137630231
CID 137630231
4-(5-{(Z)-[(2E)-2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
CID 1842527
N-[(2E,5E)-5-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 5456861
N-[(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 5952784
(5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 138376628
(E)-5-((5-(4-methoxyphenyl)furan-2-yl)methylene)-2-morpholinothiazol-4(5H)-one
CID 1129053
(5Z)-2-(4-acetylpiperazin-1-yl)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 1586699

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide (CID 5292765) is N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)S1.
What is the InChIKey of N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NHDWJGXERCDXFP-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H11F3N2O4S/c1-9(23)21-16-22-15(24)14(27-16)8-12-6-7-13(25-12)10-2-4-11(5-3-10)26-17(18,19)20/h2-8H,1H3,(H,21,22,23,24)/b14-8-.
What are the key properties of N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide?
N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide has a molecular weight of 396.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-4-oxo-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5292765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).