2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide

C17H14N4O4S — CID 8871485

IUPAC2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])o3)cs2)cc1
InChIInChI=1S/C17H14N4O4S/c1-2-11-3-5-12(6-4-11)17-19-14(10-26-17)16(22)20-18-9-13-7-8-15(25-13)21(23)24/h3-10H,2H2,1H3,(H,20,22)/b18-9-
InChIKeySSFWJIKWJZUYSD-NVMNQCDNSA-N
MW370.39 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide

2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide (PubChem CID 8871485) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide
PubChem CID8871485
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])o3)cs2)cc1
InChIInChI=1S/C17H14N4O4S/c1-2-11-3-5-12(6-4-11)17-19-14(10-26-17)16(22)20-18-9-13-7-8-15(25-13)21(23)24/h3-10H,2H2,1H3,(H,20,22)/b18-9-
InChIKeySSFWJIKWJZUYSD-NVMNQCDNSA-N
XLogP3.64
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 8871536
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 8871654
3-chloro-6-ethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 6874702
2-(4-ethylphenyl)-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazole-4-carboxamide
CID 8871648
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 23825355
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide
CID 24840585

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide (CID 8871485) is 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])o3)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide?
The InChIKey is SSFWJIKWJZUYSD-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-2-11-3-5-12(6-4-11)17-19-14(10-26-17)16(22)20-18-9-13-7-8-15(25-13)21(23)24/h3-10H,2H2,1H3,(H,20,22)/b18-9-.
What are the key properties of 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide?
2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 8871485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).