N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine

C23H18FN3OS — CID 23991017

IUPACN-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccco3)n2CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H18FN3OS/c24-17-7-9-18(10-8-17)26-23-27(21(15-29-23)22-6-3-13-28-22)12-11-16-14-25-20-5-2-1-4-19(16)20/h1-10,13-15,25H,11-12H2/b26-23-
InChIKeyWEYZRGZESQYNGF-RWEWTDSWSA-N
MW403.48 g/mol
LogP5.91
Rot. Bonds5

About N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine

N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine (PubChem CID 23991017) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine
PubChem CID23991017
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC NameN-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccco3)n2CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H18FN3OS/c24-17-7-9-18(10-8-17)26-23-27(21(15-29-23)22-6-3-13-28-22)12-11-16-14-25-20-5-2-1-4-19(16)20/h1-10,13-15,25H,11-12H2/b26-23-
InChIKeyWEYZRGZESQYNGF-RWEWTDSWSA-N
XLogP5.91
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine (CID 23991017) is N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccco3)n2CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine?
The InChIKey is WEYZRGZESQYNGF-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18FN3OS/c24-17-7-9-18(10-8-17)26-23-27(21(15-29-23)22-6-3-13-28-22)12-11-16-14-25-20-5-2-1-4-19(16)20/h1-10,13-15,25H,11-12H2/b26-23-.
What are the key properties of N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine has a molecular weight of 403.48 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(furan-2-yl)-3-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 23991017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).