2-imidazol-1-yl-1-thiophen-3-ylethanamine

C9H11N3S — CID 130835014

IUPAC2-imidazol-1-yl-1-thiophen-3-ylethanamine
SMILESNC(Cn1ccnc1)c1ccsc1
InChIInChI=1S/C9H11N3S/c10-9(8-1-4-13-6-8)5-12-3-2-11-7-12/h1-4,6-7,9H,5,10H2
InChIKeyVPZIMTHKFNTVTL-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.64
Rot. Bonds3

About 2-imidazol-1-yl-1-thiophen-3-ylethanamine

2-imidazol-1-yl-1-thiophen-3-ylethanamine (PubChem CID 130835014) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-1-thiophen-3-ylethanamine
PubChem CID130835014
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-imidazol-1-yl-1-thiophen-3-ylethanamine
SMILESNC(Cn1ccnc1)c1ccsc1
InChIInChI=1S/C9H11N3S/c10-9(8-1-4-13-6-8)5-12-3-2-11-7-12/h1-4,6-7,9H,5,10H2
InChIKeyVPZIMTHKFNTVTL-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
CID 106435002
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16786819
1-(2-chloro-4-thiophen-3-ylbutyl)imidazole
CID 23457744
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-imidazol-1-ylethanamine
CID 16641652
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94179657
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine
CID 137411079

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-imidazol-1-yl-1-thiophen-3-ylethanamine (CID 130835014) is 2-imidazol-1-yl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-imidazol-1-yl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-imidazol-1-yl-1-thiophen-3-ylethanamine is NC(Cn1ccnc1)c1ccsc1.
What is the InChIKey of 2-imidazol-1-yl-1-thiophen-3-ylethanamine?
The InChIKey is VPZIMTHKFNTVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-9(8-1-4-13-6-8)5-12-3-2-11-7-12/h1-4,6-7,9H,5,10H2.
What are the key properties of 2-imidazol-1-yl-1-thiophen-3-ylethanamine?
2-imidazol-1-yl-1-thiophen-3-ylethanamine has a molecular weight of 193.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 130835014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).