N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H19FN2S2 — CID 23936223

IUPACN-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCCCC(C)n1c(-c2cccs2)cs/c1=N\c1ccccc1F
InChIInChI=1S/C18H19FN2S2/c1-3-7-13(2)21-16(17-10-6-11-22-17)12-23-18(21)20-15-9-5-4-8-14(15)19/h4-6,8-13H,3,7H2,1-2H3/b20-18-
InChIKeyGTGQCDILKFELPS-ZZEZOPTASA-N
MW346.50 g/mol
LogP6.01
Rot. Bonds5

About N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23936223) has the molecular formula C18H19FN2S2 and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23936223
Molecular FormulaC18H19FN2S2
Molecular Weight346.50 g/mol
Exact Mass346.10
IUPAC NameN-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCCCC(C)n1c(-c2cccs2)cs/c1=N\c1ccccc1F
InChIInChI=1S/C18H19FN2S2/c1-3-7-13(2)21-16(17-10-6-11-22-17)12-23-18(21)20-15-9-5-4-8-14(15)19/h4-6,8-13H,3,7H2,1-2H3/b20-18-
InChIKeyGTGQCDILKFELPS-ZZEZOPTASA-N
XLogP6.01
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
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-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23936223) is N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is CCCC(C)n1c(-c2cccs2)cs/c1=N\c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is GTGQCDILKFELPS-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H19FN2S2/c1-3-7-13(2)21-16(17-10-6-11-22-17)12-23-18(21)20-15-9-5-4-8-14(15)19/h4-6,8-13H,3,7H2,1-2H3/b20-18-.
What are the key properties of N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 346.50 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23936223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).