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

C15H15FN4S — CID 64988515

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESFc1ccc(-c2nc(CNCCc3cnc[nH]3)cs2)cc1
InChIInChI=1S/C15H15FN4S/c16-12-3-1-11(2-4-12)15-20-14(9-21-15)8-17-6-5-13-7-18-10-19-13/h1-4,7,9-10,17H,5-6,8H2,(H,18,19)
InChIKeyCKTRWVPCSVYNSY-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.00
Rot. Bonds6

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

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 64988515) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID64988515
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESFc1ccc(-c2nc(CNCCc3cnc[nH]3)cs2)cc1
InChIInChI=1S/C15H15FN4S/c16-12-3-1-11(2-4-12)15-20-14(9-21-15)8-17-6-5-13-7-18-10-19-13/h1-4,7,9-10,17H,5-6,8H2,(H,18,19)
InChIKeyCKTRWVPCSVYNSY-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 64988608
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 64988515) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine is Fc1ccc(-c2nc(CNCCc3cnc[nH]3)cs2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is CKTRWVPCSVYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c16-12-3-1-11(2-4-12)15-20-14(9-21-15)8-17-6-5-13-7-18-10-19-13/h1-4,7,9-10,17H,5-6,8H2,(H,18,19).
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 302.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 64988515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).