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

C20H14N4O3S — CID 23908093

IUPAC3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3)cs/c2=N\c2ccccc2)o1
InChIInChI=1S/C20H14N4O3S/c25-24(26)19-12-11-17(27-19)13-21-23-18(15-7-3-1-4-8-15)14-28-20(23)22-16-9-5-2-6-10-16/h1-14H/b21-13?,22-20-
InChIKeyLTABTFQEQKVKHP-UFCRRRKQSA-N
MW390.42 g/mol
LogP4.83
Rot. Bonds5

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

3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine (PubChem CID 23908093) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine
PubChem CID23908093
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC Name3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3)cs/c2=N\c2ccccc2)o1
InChIInChI=1S/C20H14N4O3S/c25-24(26)19-12-11-17(27-19)13-21-23-18(15-7-3-1-4-8-15)14-28-20(23)22-16-9-5-2-6-10-16/h1-14H/b21-13?,22-20-
InChIKeyLTABTFQEQKVKHP-UFCRRRKQSA-N
XLogP4.83
TPSA85.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.83
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

N-benzyl-3-[(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 23818844
N-(2,5-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 23818633
N-(4-chlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23763669
4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23790253
4-(4-bromophenyl)-N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23882680
N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795166
(Z)-4-(4-bromophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 7975149
4-naphthalen-1-yl-3-[(5-nitrofuran-2-yl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23827471
N-ethyl-4-(4-methylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23793462
4-(1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23740733
4-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23903751
4-(1-benzofuran-2-yl)-N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23799345

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine (CID 23908093) is 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine is O=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3)cs/c2=N\c2ccccc2)o1.
What is the InChIKey of 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine?
The InChIKey is LTABTFQEQKVKHP-UFCRRRKQSA-N. The full InChI is InChI=1S/C20H14N4O3S/c25-24(26)19-12-11-17(27-19)13-21-23-18(15-7-3-1-4-8-15)14-28-20(23)22-16-9-5-2-6-10-16/h1-14H/b21-13?,22-20-.
What are the key properties of 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine?
3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine has a molecular weight of 390.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23908093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).