3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole

C14H17N5OS — CID 56918417

IUPAC3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole
SMILESCCc1ccc(-c2nccn2CCSc2nncn2C)o1
InChIInChI=1S/C14H17N5OS/c1-3-11-4-5-12(20-11)13-15-6-7-19(13)8-9-21-14-17-16-10-18(14)2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJJFJOYSLISOKRV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.63
Rot. Bonds6

About 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole

3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole (PubChem CID 56918417) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole
PubChem CID56918417
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole
SMILESCCc1ccc(-c2nccn2CCSc2nncn2C)o1
InChIInChI=1S/C14H17N5OS/c1-3-11-4-5-12(20-11)13-15-6-7-19(13)8-9-21-14-17-16-10-18(14)2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJJFJOYSLISOKRV-UHFFFAOYSA-N
XLogP2.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
CID 56750457
ethyl 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazole-2-carboxylate
CID 56866166
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
CID 106887317
2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
CID 56864565
1-(2-methoxyethyl)-2-(5-propylfuran-2-yl)imidazole
CID 56742593
3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 50952972
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-methyl-1,2,4-triazole
CID 112781675
2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56863819
3-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 131206964
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]aniline
CID 43366334

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole (CID 56918417) is 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole is CCc1ccc(-c2nccn2CCSc2nncn2C)o1.
What is the InChIKey of 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole?
The InChIKey is JJFJOYSLISOKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-3-11-4-5-12(20-11)13-15-6-7-19(13)8-9-21-14-17-16-10-18(14)2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole?
3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole has a molecular weight of 303.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 56918417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).