(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

C15H11FN4O3S — CID 7975216

IUPAC(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H11FN4O3S/c1-17-15-19(18-8-10-6-7-14(23-10)20(21)22)13(9-24-15)11-4-2-3-5-12(11)16/h2-9H,1H3/b17-15-,18-8-
InChIKeyYBDJILJAXFPPTP-WSHHSOPGSA-N
MW346.34 g/mol
LogP3.27
Rot. Bonds4

About (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 7975216) has the molecular formula C15H11FN4O3S and a molecular weight of 346.34 g/mol. Its IUPAC name is (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID7975216
Molecular FormulaC15H11FN4O3S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC Name(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H11FN4O3S/c1-17-15-19(18-8-10-6-7-14(23-10)20(21)22)13(9-24-15)11-4-2-3-5-12(11)16/h2-9H,1H3/b17-15-,18-8-
InChIKeyYBDJILJAXFPPTP-WSHHSOPGSA-N
XLogP3.27
TPSA85.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine 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

(E)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 6903741
(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 6903079
(E)-1-(4-fluorophenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
CID 172456247
1-(5-nitrofuran-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
CID 2308235
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 6902625
2-acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one
CID 54611520
(5-nitrofuran-2-yl)methyl N-acetyl-N'-[(E)-benzylideneamino]carbamimidothioate
CID 137307463
4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 2365552
4-(4-fluorophenyl)-N-methyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 2372575
(Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 5676694
(Z)-4-(4-fluorophenyl)-N-methyl-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 5677740
(Z)-4-(4-fluorophenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7974716

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 7975216) is (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1/N=C\c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is YBDJILJAXFPPTP-WSHHSOPGSA-N. The full InChI is InChI=1S/C15H11FN4O3S/c1-17-15-19(18-8-10-6-7-14(23-10)20(21)22)13(9-24-15)11-4-2-3-5-12(11)16/h2-9H,1H3/b17-15-,18-8-.
What are the key properties of (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 346.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 7975216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).