N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

C16H15FN2OS — CID 63830417

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESFc1ccc(-c2ccc(CNCCc3cscn3)o2)cc1
InChIInChI=1S/C16H15FN2OS/c17-13-3-1-12(2-4-13)16-6-5-15(20-16)9-18-8-7-14-10-21-11-19-14/h1-6,10-11,18H,7-9H2
InChIKeyBNRJYEUAIKUPGT-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.87
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63830417) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63830417
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESFc1ccc(-c2ccc(CNCCc3cscn3)o2)cc1
InChIInChI=1S/C16H15FN2OS/c17-13-3-1-12(2-4-13)16-6-5-15(20-16)9-18-8-7-14-10-21-11-19-14/h1-6,10-11,18H,7-9H2
InChIKeyBNRJYEUAIKUPGT-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831322
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 55261618
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
CID 103701717
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
CID 115629192
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001539
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63830417) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine is Fc1ccc(-c2ccc(CNCCc3cscn3)o2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is BNRJYEUAIKUPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-13-3-1-12(2-4-13)16-6-5-15(20-16)9-18-8-7-14-10-21-11-19-14/h1-6,10-11,18H,7-9H2.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 302.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63830417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).