2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole

C13H12N4S — CID 169418907

IUPAC2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole
SMILESc1ccc(-c2nccn2CCc2nccs2)nc1
InChIInChI=1S/C13H12N4S/c1-2-5-14-11(3-1)13-16-6-9-17(13)8-4-12-15-7-10-18-12/h1-3,5-7,9-10H,4,8H2
InChIKeyJJJXARBFFXXOTG-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole

2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 169418907) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole
PubChem CID169418907
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole
SMILESc1ccc(-c2nccn2CCc2nccs2)nc1
InChIInChI=1S/C13H12N4S/c1-2-5-14-11(3-1)13-16-6-9-17(13)8-4-12-15-7-10-18-12/h1-3,5-7,9-10H,4,8H2
InChIKeyJJJXARBFFXXOTG-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 169417860
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
CID 86266163
2-(2-pyridin-2-ylimidazol-1-yl)ethyl N,N-dimethylcarbamate
CID 86799221
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one
CID 167930767
N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571890
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole
CID 167919809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole (CID 169418907) is 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole is c1ccc(-c2nccn2CCc2nccs2)nc1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is JJJXARBFFXXOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-5-14-11(3-1)13-16-6-9-17(13)8-4-12-15-7-10-18-12/h1-3,5-7,9-10H,4,8H2.
What are the key properties of 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole?
2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 256.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 169418907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).