2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole

C13H12N4S — CID 155913617

IUPAC2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
SMILESCC(c1cccnc1)n1ccnc1-c1nccs1
InChIInChI=1S/C13H12N4S/c1-10(11-3-2-4-14-9-11)17-7-5-15-12(17)13-16-6-8-18-13/h2-10H,1H3
InChIKeyZAUQCTQYGZAHFJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds3

About 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole

2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 155913617) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID155913617
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
SMILESCC(c1cccnc1)n1ccnc1-c1nccs1
InChIInChI=1S/C13H12N4S/c1-10(11-3-2-4-14-9-11)17-7-5-15-12(17)13-16-6-8-18-13/h2-10H,1H3
InChIKeyZAUQCTQYGZAHFJ-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 43523812
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
5-[1-[2-(2-fluorophenyl)imidazol-1-yl]ethyl]-2-methylpyridine
CID 155913859
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 95545239
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
1-(1-phenylethyl)-2-[4-(2-phenylethynyl)thiophen-2-yl]imidazole
CID 141140916
2-methyl-4-[1-[1-(6-methyl-3-pyridinyl)ethyl]imidazol-2-yl]-1,3-oxazole
CID 56907258
N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
CID 95551886

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole (CID 155913617) is 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole is CC(c1cccnc1)n1ccnc1-c1nccs1.
What is the InChIKey of 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is ZAUQCTQYGZAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-10(11-3-2-4-14-9-11)17-7-5-15-12(17)13-16-6-8-18-13/h2-10H,1H3.
What are the key properties of 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole?
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 256.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 155913617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).