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

C15H16N4S — CID 64988608

IUPAC2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESc1ccc(-c2csc(CNCCc3cnc[nH]3)n2)cc1
InChIInChI=1S/C15H16N4S/c1-2-4-12(5-3-1)14-10-20-15(19-14)9-16-7-6-13-8-17-11-18-13/h1-5,8,10-11,16H,6-7,9H2,(H,17,18)
InChIKeyLJGDWZLQRIYFHF-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.87
Rot. Bonds6

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

2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 64988608) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID64988608
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESc1ccc(-c2csc(CNCCc3cnc[nH]3)n2)cc1
InChIInChI=1S/C15H16N4S/c1-2-4-12(5-3-1)14-10-20-15(19-14)9-16-7-6-13-8-17-11-18-13/h1-5,8,10-11,16H,6-7,9H2,(H,17,18)
InChIKeyLJGDWZLQRIYFHF-UHFFFAOYSA-N
XLogP2.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.87
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

N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
CID 57231798
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988515
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64519546
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 64988608) is 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is c1ccc(-c2csc(CNCCc3cnc[nH]3)n2)cc1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is LJGDWZLQRIYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-4-12(5-3-1)14-10-20-15(19-14)9-16-7-6-13-8-17-11-18-13/h1-5,8,10-11,16H,6-7,9H2,(H,17,18).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 64988608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).