N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine

C18H20FNS — CID 146644576

IUPACN-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine
SMILESC=C(CCC)c1sc(-c2ccc(F)cc2)cc1/N=C/CC
InChIInChI=1S/C18H20FNS/c1-4-6-13(3)18-16(20-11-5-2)12-17(21-18)14-7-9-15(19)10-8-14/h7-12H,3-6H2,1-2H3/b20-11+
InChIKeyHXGFUPJIBUZYPO-RGVLZGJSSA-N
MW301.43 g/mol
LogP6.48
Rot. Bonds6

About N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine

N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine (PubChem CID 146644576) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine
PubChem CID146644576
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC NameN-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine
SMILESC=C(CCC)c1sc(-c2ccc(F)cc2)cc1/N=C/CC
InChIInChI=1S/C18H20FNS/c1-4-6-13(3)18-16(20-11-5-2)12-17(21-18)14-7-9-15(19)10-8-14/h7-12H,3-6H2,1-2H3/b20-11+
InChIKeyHXGFUPJIBUZYPO-RGVLZGJSSA-N
XLogP6.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-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-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine?
The IUPAC name of N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine (CID 146644576) is N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine?
The canonical SMILES for N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine is C=C(CCC)c1sc(-c2ccc(F)cc2)cc1/N=C/CC.
What is the InChIKey of N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine?
The InChIKey is HXGFUPJIBUZYPO-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20FNS/c1-4-6-13(3)18-16(20-11-5-2)12-17(21-18)14-7-9-15(19)10-8-14/h7-12H,3-6H2,1-2H3/b20-11+.
What are the key properties of N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine?
N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine has a molecular weight of 301.43 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-2-pent-1-en-2-ylthiophen-3-yl]propan-1-imine is sourced from PubChem (CID 146644576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).