N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine

C20H19FN2S — CID 23761424

IUPACN-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(F)cc2)n1C1CCCc2ccccc21
InChIInChI=1S/C20H19FN2S/c1-14-13-24-20(22-17-11-9-16(21)10-12-17)23(14)19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3/b22-20-
InChIKeyFEMCYQMLHXJZPZ-XDOYNYLZSA-N
MW338.45 g/mol
LogP5.16
Rot. Bonds2

About N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine

N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine (PubChem CID 23761424) has the molecular formula C20H19FN2S and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine
PubChem CID23761424
Molecular FormulaC20H19FN2S
Molecular Weight338.45 g/mol
Exact Mass338.13
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(F)cc2)n1C1CCCc2ccccc21
InChIInChI=1S/C20H19FN2S/c1-14-13-24-20(22-17-11-9-16(21)10-12-17)23(14)19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3/b22-20-
InChIKeyFEMCYQMLHXJZPZ-XDOYNYLZSA-N
XLogP5.16
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-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 N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine (CID 23761424) is N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(F)cc2)n1C1CCCc2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine?
The InChIKey is FEMCYQMLHXJZPZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19FN2S/c1-14-13-24-20(22-17-11-9-16(21)10-12-17)23(14)19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-13,19H,4,6,8H2,1H3/b22-20-.
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine has a molecular weight of 338.45 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23761424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).