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

C22H17FN4S — CID 2364815

IUPACN-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2cccnc2)cc1
InChIInChI=1S/C22H17FN4S/c23-20-10-8-19(9-11-20)21-16-28-22(25-14-17-5-2-1-3-6-17)27(21)26-15-18-7-4-12-24-13-18/h1-13,15-16H,14H2/b25-22-,26-15?
InChIKeyKWEJZKOJFBIELL-BTKBRLNJSA-N
MW388.47 g/mol
LogP4.73
Rot. Bonds5

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

N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2364815) has the molecular formula C22H17FN4S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2364815
Molecular FormulaC22H17FN4S
Molecular Weight388.47 g/mol
Exact Mass388.12
IUPAC NameN-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2cccnc2)cc1
InChIInChI=1S/C22H17FN4S/c23-20-10-8-19(9-11-20)21-16-28-22(25-14-17-5-2-1-3-6-17)27(21)26-15-18-7-4-12-24-13-18/h1-13,15-16H,14H2/b25-22-,26-15?
InChIKeyKWEJZKOJFBIELL-BTKBRLNJSA-N
XLogP4.73
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2364815) is N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2cccnc2)cc1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is KWEJZKOJFBIELL-BTKBRLNJSA-N. The full InChI is InChI=1S/C22H17FN4S/c23-20-10-8-19(9-11-20)21-16-28-22(25-14-17-5-2-1-3-6-17)27(21)26-15-18-7-4-12-24-13-18/h1-13,15-16H,14H2/b25-22-,26-15?.
What are the key properties of N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 388.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2364815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).