5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole

C13H14N4O2S — CID 45208927

IUPAC5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc2sccn2c1-c1nc(CC2CCCO2)no1
InChIInChI=1S/C13H14N4O2S/c1-8-11(17-4-6-20-13(17)14-8)12-15-10(16-19-12)7-9-3-2-5-18-9/h4,6,9H,2-3,5,7H2,1H3
InChIKeyCYPNYIMMTJFRBZ-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.48
Rot. Bonds3

About 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole

5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 45208927) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID45208927
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc2sccn2c1-c1nc(CC2CCCO2)no1
InChIInChI=1S/C13H14N4O2S/c1-8-11(17-4-6-20-13(17)14-8)12-15-10(16-19-12)7-9-3-2-5-18-9/h4,6,9H,2-3,5,7H2,1H3
InChIKeyCYPNYIMMTJFRBZ-UHFFFAOYSA-N
XLogP2.48
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[[4-methyl-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30864854
2-[[4-methyl-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30864850
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114916026
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
1-methyl-5-[3-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrrole-3-carbonitrile
CID 97222256
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134
5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole
CID 126808316
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 113278812
5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113391152

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole (CID 45208927) is 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole is Cc1nc2sccn2c1-c1nc(CC2CCCO2)no1.
What is the InChIKey of 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is CYPNYIMMTJFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-11(17-4-6-20-13(17)14-8)12-15-10(16-19-12)7-9-3-2-5-18-9/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 290.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 45208927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).