2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole

C20H26N4O2S2 — CID 22830961

IUPAC2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCCc1sc(-c2nnc(CSc3nc(C)c(C)n3CC3CCCO3)o2)cc1C
InChIInChI=1S/C20H26N4O2S2/c1-5-16-12(2)9-17(28-16)19-23-22-18(26-19)11-27-20-21-13(3)14(4)24(20)10-15-7-6-8-25-15/h9,15H,5-8,10-11H2,1-4H3
InChIKeyGUMKBQSEVIVXDI-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.95
Rot. Bonds7

About 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole

2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 22830961) has the molecular formula C20H26N4O2S2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID22830961
Molecular FormulaC20H26N4O2S2
Molecular Weight418.59 g/mol
Exact Mass418.15
IUPAC Name2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCCc1sc(-c2nnc(CSc3nc(C)c(C)n3CC3CCCO3)o2)cc1C
InChIInChI=1S/C20H26N4O2S2/c1-5-16-12(2)9-17(28-16)19-23-22-18(26-19)11-27-20-21-13(3)14(4)24(20)10-15-7-6-8-25-15/h9,15H,5-8,10-11H2,1-4H3
InChIKeyGUMKBQSEVIVXDI-UHFFFAOYSA-N
XLogP4.95
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71880150
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 18130320
2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
CID 97213392
2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 4880183
5-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46812747
5-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 24573959
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 55856989
4-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 46445354
4,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)imidazole
CID 47007559
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869005
2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 41272778
2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17447645

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 22830961) is 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole is CCc1sc(-c2nnc(CSc3nc(C)c(C)n3CC3CCCO3)o2)cc1C.
What is the InChIKey of 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is GUMKBQSEVIVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S2/c1-5-16-12(2)9-17(28-16)19-23-22-18(26-19)11-27-20-21-13(3)14(4)24(20)10-15-7-6-8-25-15/h9,15H,5-8,10-11H2,1-4H3.
What are the key properties of 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 418.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 22830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).