4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide

C15H11N3O3S — CID 23647656

IUPAC4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1
InChIInChI=1S/C15H11N3O3S/c16-13(19)9-3-1-8(2-4-9)11-6-5-10(21-11)7-12-14(20)18-15(17)22-12/h1-7H,(H2,16,19)(H2,17,18,20)/b12-7-
InChIKeyNZUWPUWPWYAAFJ-GHXNOFRVSA-N
MW313.34 g/mol
LogP1.97
Rot. Bonds3

About 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide

4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide (PubChem CID 23647656) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide
PubChem CID23647656
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1
InChIInChI=1S/C15H11N3O3S/c16-13(19)9-3-1-8(2-4-9)11-6-5-10(21-11)7-12-14(20)18-15(17)22-12/h1-7H,(H2,16,19)(H2,17,18,20)/b12-7-
InChIKeyNZUWPUWPWYAAFJ-GHXNOFRVSA-N
XLogP1.97
TPSA111.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide
CID 5729339
N-(5-Phenyl-furan-2-carbonyl)-guanidine
CID 11470226
4-{5-[(Z)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-YL}benzoic acid
CID 5951796
4-(5-{1-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzene-1-sulfonamide
CID 23647659
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-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 162655680
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzamide
CID 137628993
N-[(2Z,5E)-5-{[5-(2-fluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]propanamide
CID 5292308
5-[(5-Phenyl-2-furyl)methylene]-1,3-thiazolidine-2,4-dione
CID 6196488
N-(5-p-Tolyl-furan-2-carbonyl)-guanidine
CID 11151941
(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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide?
The IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide (CID 23647656) is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide.
What is the SMILES notation for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide?
The canonical SMILES for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide is NC(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide?
The InChIKey is NZUWPUWPWYAAFJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H11N3O3S/c16-13(19)9-3-1-8(2-4-9)11-6-5-10(21-11)7-12-14(20)18-15(17)22-12/h1-7H,(H2,16,19)(H2,17,18,20)/b12-7-.
What are the key properties of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide?
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide has a molecular weight of 313.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzamide is sourced from PubChem (CID 23647656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).