4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C21H14FN5O2S — CID 5041909

IUPAC4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccccc1/N=c1\scc(-c2ccccc2F)n1N=Cc1ccccn1
InChIInChI=1S/C21H14FN5O2S/c22-17-9-2-1-8-16(17)20-14-30-21(25-18-10-3-4-11-19(18)27(28)29)26(20)24-13-15-7-5-6-12-23-15/h1-14H/b24-13?,25-21-
InChIKeyDMFLEZJFPBWOSY-ZYUFCRHZSA-N
MW419.44 g/mol
LogP4.77
Rot. Bonds5

About 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 5041909) has the molecular formula C21H14FN5O2S and a molecular weight of 419.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID5041909
Molecular FormulaC21H14FN5O2S
Molecular Weight419.44 g/mol
Exact Mass419.09
IUPAC Name4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccccc1/N=c1\scc(-c2ccccc2F)n1N=Cc1ccccn1
InChIInChI=1S/C21H14FN5O2S/c22-17-9-2-1-8-16(17)20-14-30-21(25-18-10-3-4-11-19(18)27(28)29)26(20)24-13-15-7-5-6-12-23-15/h1-14H/b24-13?,25-21-
InChIKeyDMFLEZJFPBWOSY-ZYUFCRHZSA-N
XLogP4.77
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.77
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 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 5041909) is 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is O=[N+]([O-])c1ccccc1/N=c1\scc(-c2ccccc2F)n1N=Cc1ccccn1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is DMFLEZJFPBWOSY-ZYUFCRHZSA-N. The full InChI is InChI=1S/C21H14FN5O2S/c22-17-9-2-1-8-16(17)20-14-30-21(25-18-10-3-4-11-19(18)27(28)29)26(20)24-13-15-7-5-6-12-23-15/h1-14H/b24-13?,25-21-.
What are the key properties of 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 419.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 5041909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).