N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine

C22H18FN3OS — CID 23878605

IUPACN-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2ccccc2F)cs/c1=N\Cc1ccccc1)c1ccco1
InChIInChI=1S/C22H18FN3OS/c1-16(21-12-7-13-27-21)25-26-20(18-10-5-6-11-19(18)23)15-28-22(26)24-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3/b24-22-,25-16?
InChIKeyYQGQMNCMEZODTC-IVTPQNPJSA-N
MW391.47 g/mol
LogP5.32
Rot. Bonds5

About N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine

N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine (PubChem CID 23878605) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
PubChem CID23878605
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC NameN-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2ccccc2F)cs/c1=N\Cc1ccccc1)c1ccco1
InChIInChI=1S/C22H18FN3OS/c1-16(21-12-7-13-27-21)25-26-20(18-10-5-6-11-19(18)23)15-28-22(26)24-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3/b24-22-,25-16?
InChIKeyYQGQMNCMEZODTC-IVTPQNPJSA-N
XLogP5.32
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.32
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-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine (CID 23878605) is N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine is CC(=Nn1c(-c2ccccc2F)cs/c1=N\Cc1ccccc1)c1ccco1.
What is the InChIKey of N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is YQGQMNCMEZODTC-IVTPQNPJSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-16(21-12-7-13-27-21)25-26-20(18-10-5-6-11-19(18)23)15-28-22(26)24-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3/b24-22-,25-16?.
What are the key properties of N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 391.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23878605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).