4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine

C16H14N6OS — CID 146040951

IUPAC4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine
SMILESNc1cc(-c2nccn2Cc2nc(Cc3cccs3)no2)ccn1
InChIInChI=1S/C16H14N6OS/c17-13-8-11(3-4-18-13)16-19-5-6-22(16)10-15-20-14(21-23-15)9-12-2-1-7-24-12/h1-8H,9-10H2,(H2,17,18)
InChIKeyKXZRQPYXOLIZJM-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.61
Rot. Bonds5

About 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine

4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine (PubChem CID 146040951) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine
PubChem CID146040951
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine
SMILESNc1cc(-c2nccn2Cc2nc(Cc3cccs3)no2)ccn1
InChIInChI=1S/C16H14N6OS/c17-13-8-11(3-4-18-13)16-19-5-6-22(16)10-15-20-14(21-23-15)9-12-2-1-7-24-12/h1-8H,9-10H2,(H2,17,18)
InChIKeyKXZRQPYXOLIZJM-UHFFFAOYSA-N
XLogP2.61
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine with MolForge

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Related Compounds

5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115918016
3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 70711129
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine
CID 82562271
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
CID 15057077
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
(3aR,6aR)-4-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 154922223
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450888
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine (CID 146040951) is 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine is Nc1cc(-c2nccn2Cc2nc(Cc3cccs3)no2)ccn1.
What is the InChIKey of 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine?
The InChIKey is KXZRQPYXOLIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-13-8-11(3-4-18-13)16-19-5-6-22(16)10-15-20-14(21-23-15)9-12-2-1-7-24-12/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine?
4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine has a molecular weight of 338.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 146040951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).