4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine

C20H21FN2S — CID 3736483

IUPAC4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
SMILESCCCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C20H21FN2S/c1-2-3-7-14-23-19(16-10-12-17(21)13-11-16)15-24-20(23)22-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14H2,1H3/b22-20-
InChIKeyNPAJDWNUAFQQEQ-XDOYNYLZSA-N
MW340.47 g/mol
LogP5.78
Rot. Bonds6

About 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine

4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 3736483) has the molecular formula C20H21FN2S and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
PubChem CID3736483
Molecular FormulaC20H21FN2S
Molecular Weight340.47 g/mol
Exact Mass340.14
IUPAC Name4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
SMILESCCCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C20H21FN2S/c1-2-3-7-14-23-19(16-10-12-17(21)13-11-16)15-24-20(23)22-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14H2,1H3/b22-20-
InChIKeyNPAJDWNUAFQQEQ-XDOYNYLZSA-N
XLogP5.78
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine (CID 3736483) is 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine is CCCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is NPAJDWNUAFQQEQ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21FN2S/c1-2-3-7-14-23-19(16-10-12-17(21)13-11-16)15-24-20(23)22-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14H2,1H3/b22-20-.
What are the key properties of 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 340.47 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 3736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).