2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine

C10H13N3S — CID 64988759

IUPAC2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1ncc(CCNCc2ccsc2)[nH]1
InChIInChI=1S/C10H13N3S/c1(10-6-12-8-13-10)3-11-5-9-2-4-14-7-9/h2,4,6-8,11H,1,3,5H2,(H,12,13)
InChIKeyPECJPXDFUDESCF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.80
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine

2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 64988759) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID64988759
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1ncc(CCNCc2ccsc2)[nH]1
InChIInChI=1S/C10H13N3S/c1(10-6-12-8-13-10)3-11-5-9-2-4-14-7-9/h2,4,6-8,11H,1,3,5H2,(H,12,13)
InChIKeyPECJPXDFUDESCF-UHFFFAOYSA-N
XLogP1.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 64988608
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 64988312
3-(1H-imidazol-5-yl)-2-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244544
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 64988759) is 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine is c1ncc(CCNCc2ccsc2)[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is PECJPXDFUDESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1(10-6-12-8-13-10)3-11-5-9-2-4-14-7-9/h2,4,6-8,11H,1,3,5H2,(H,12,13).
What are the key properties of 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine?
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 64988759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).