N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine

C24H21FN4O2S — CID 23822766

IUPACN-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccco3)n2N=Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H21FN4O2S/c25-19-5-7-20(8-6-19)27-24-29(22(17-32-24)23-2-1-13-31-23)26-16-18-3-9-21(10-4-18)28-11-14-30-15-12-28/h1-10,13,16-17H,11-12,14-15H2/b26-16?,27-24-
InChIKeyQTNZXHSJYRTALE-PDQXPSKDSA-N
MW448.52 g/mol
LogP4.90
Rot. Bonds5

About N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine

N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23822766) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23822766
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccco3)n2N=Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H21FN4O2S/c25-19-5-7-20(8-6-19)27-24-29(22(17-32-24)23-2-1-13-31-23)26-16-18-3-9-21(10-4-18)28-11-14-30-15-12-28/h1-10,13,16-17H,11-12,14-15H2/b26-16?,27-24-
InChIKeyQTNZXHSJYRTALE-PDQXPSKDSA-N
XLogP4.90
TPSA55.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795654
N-(2-fluorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23994806
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23820197
4-(1-benzofuran-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23879774
4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360
4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23768904
N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23988522
N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23791755
4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992503
N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23989016
4-bromo-2-[[4-(furan-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135584429

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 23822766) is N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccco3)n2N=Cc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is QTNZXHSJYRTALE-PDQXPSKDSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-19-5-7-20(8-6-19)27-24-29(22(17-32-24)23-2-1-13-31-23)26-16-18-3-9-21(10-4-18)28-11-14-30-15-12-28/h1-10,13,16-17H,11-12,14-15H2/b26-16?,27-24-.
What are the key properties of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 448.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23822766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).