N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C15H16N4S — CID 63643841

IUPACN-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1n[nH]nc1-c1ccccc1)c1cccs1
InChIInChI=1S/C15H16N4S/c1-11(14-8-5-9-20-14)16-10-13-15(18-19-17-13)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,18,19)
InChIKeyNGNXNANGCMRQAV-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.38
Rot. Bonds5

About N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine

N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 63643841) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID63643841
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1n[nH]nc1-c1ccccc1)c1cccs1
InChIInChI=1S/C15H16N4S/c1-11(14-8-5-9-20-14)16-10-13-15(18-19-17-13)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,18,19)
InChIKeyNGNXNANGCMRQAV-UHFFFAOYSA-N
XLogP3.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
CID 63643148
N-(2-methylpropoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 82709211
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(5-phenyl-2H-triazol-4-yl)methyl]hex-1-yn-3-amine
CID 106225752
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
N-[(5-phenyl-2H-triazol-4-yl)methyl]thiophen-3-amine
CID 66351237

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 63643841) is N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1n[nH]nc1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is NGNXNANGCMRQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11(14-8-5-9-20-14)16-10-13-15(18-19-17-13)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,18,19).
What are the key properties of N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 284.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63643841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).