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

C15H11FN4O3S — CID 23828143

IUPACN-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(F)cc2)n1N=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H11FN4O3S/c1-10-9-24-15(18-12-4-2-11(16)3-5-12)19(10)17-8-13-6-7-14(23-13)20(21)22/h2-9H,1H3/b17-8?,18-15-
InChIKeyQFHFMBXFPANIQB-ZJCXACDUSA-N
MW346.34 g/mol
LogP3.61
Rot. Bonds4

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

N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23828143) has the molecular formula C15H11FN4O3S and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23828143
Molecular FormulaC15H11FN4O3S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(F)cc2)n1N=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H11FN4O3S/c1-10-9-24-15(18-12-4-2-11(16)3-5-12)19(10)17-8-13-6-7-14(23-13)20(21)22/h2-9H,1H3/b17-8?,18-15-
InChIKeyQFHFMBXFPANIQB-ZJCXACDUSA-N
XLogP3.61
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 ≤ 53.61
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'}

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Related Compounds

4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23736449
4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23790253
4-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23850015
3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine
CID 23908093
N-(4-chlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23763669
4-(1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23740733
N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795166
4-(4-bromophenyl)-N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23882680
4-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23903751
(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 7975050
N-ethyl-4-(4-methylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23793462
(Z)-4-(4-bromophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 7975149

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23828143) is N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(F)cc2)n1N=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is QFHFMBXFPANIQB-ZJCXACDUSA-N. The full InChI is InChI=1S/C15H11FN4O3S/c1-10-9-24-15(18-12-4-2-11(16)3-5-12)19(10)17-8-13-6-7-14(23-13)20(21)22/h2-9H,1H3/b17-8?,18-15-.
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 346.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23828143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).