2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine

C11H14N4S — CID 94686227

IUPAC2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
SMILESNCCSc1nccn1Cc1ccncc1
InChIInChI=1S/C11H14N4S/c12-3-8-16-11-14-6-7-15(11)9-10-1-4-13-5-2-10/h1-2,4-7H,3,8-9,12H2
InChIKeyKLYZBWGHOKTWLU-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.38
Rot. Bonds5

About 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine

2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine (PubChem CID 94686227) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
PubChem CID94686227
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
SMILESNCCSc1nccn1Cc1ccncc1
InChIInChI=1S/C11H14N4S/c12-3-8-16-11-14-6-7-15(11)9-10-1-4-13-5-2-10/h1-2,4-7H,3,8-9,12H2
InChIKeyKLYZBWGHOKTWLU-UHFFFAOYSA-N
XLogP1.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
CID 94691066
1-benzyl-2-[(4-chlorophenyl)methylsulfanyl]imidazole
CID 788065
2-[1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanylethanol
CID 94689526
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
2-(2-chloroethylsulfanyl)-1-ethylimidazole
CID 62136783
2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine
CID 82125386
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
2-[1-(1-phenylethyl)imidazol-2-yl]sulfanylethanamine
CID 19861385
1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
CID 63097057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine?
The IUPAC name of 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine (CID 94686227) is 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine?
The canonical SMILES for 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine is NCCSc1nccn1Cc1ccncc1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine?
The InChIKey is KLYZBWGHOKTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-3-8-16-11-14-6-7-15(11)9-10-1-4-13-5-2-10/h1-2,4-7H,3,8-9,12H2.
What are the key properties of 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine?
2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine has a molecular weight of 234.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine is sourced from PubChem (CID 94686227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).