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

C10H13N3S — CID 60664520

IUPAC2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1cn(CCNCc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c1-6-14-8-10(1)7-11-2-4-13-5-3-12-9-13/h1,3,5-6,8-9,11H,2,4,7H2
InChIKeyIUWNGAYDHMHWNG-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.73
Rot. Bonds5

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

2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 60664520) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID60664520
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1cn(CCNCc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c1-6-14-8-10(1)7-11-2-4-13-5-3-12-9-13/h1,3,5-6,8-9,11H,2,4,7H2
InChIKeyIUWNGAYDHMHWNG-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Imidazol-1-ylpropan-2-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 47253563
N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53501483
N-(2-imidazol-1-ylethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 71894036
N,N-dimethyl-1-[8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
CID 118746952
[3-(Imidazol-1-yl)propyl](thiophen-2-ylmethyl)amine
CID 17155303
1-methyl-N-(thiophen-3-ylmethyl)-1H-imidazole-4-sulfonamide
CID 71806154
N-(2-imidazol-1-ylethyl)-3-sulfanyl-N-(thiophen-3-ylmethyl)propanamide
CID 177680687
1-(Thiophen-2-yl)-1H-imidazole
CID 15380352
N-(1H-imidazol-2-ylmethyl)-N',N'-dimethyl-N-(3-thienylmethyl)ethane-1,2-diamine
CID 46994201
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methyl-N-(3-thienylmethyl)propan-1-amine
CID 91841898
N'-[2-(1H-imidazol-2-yl)ethyl]-N-isobutyl-N-(3-thienylmethyl)urea
CID 122568134
(3S)-3-[(2-methylimidazol-1-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 129609819

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 60664520) is 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine is c1cn(CCNCc2ccsc2)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is IUWNGAYDHMHWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6-14-8-10(1)7-11-2-4-13-5-3-12-9-13/h1,3,5-6,8-9,11H,2,4,7H2.
What are the key properties of 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 60664520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).