3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole

C14H17N5OS — CID 154781094

IUPAC3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCCN2Cc2cn3ccnc3s2)no1
InChIInChI=1S/C14H17N5OS/c1-10-16-13(17-20-10)12-4-2-3-6-18(12)8-11-9-19-7-5-15-14(19)21-11/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyADNVFXZTUQYBHP-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.81
Rot. Bonds3

About 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole

3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 154781094) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID154781094
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCCN2Cc2cn3ccnc3s2)no1
InChIInChI=1S/C14H17N5OS/c1-10-16-13(17-20-10)12-4-2-3-6-18(12)8-11-9-19-7-5-15-14(19)21-11/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyADNVFXZTUQYBHP-UHFFFAOYSA-N
XLogP2.81
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96508274
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97008723
2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 97008722
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97008727
3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 71933837
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 97008716
5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 110254319
3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 71934041
3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 97008764
3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129461066
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825

Frequently Asked Questions

What is the IUPAC name of 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole (CID 154781094) is 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCCCN2Cc2cn3ccnc3s2)no1.
What is the InChIKey of 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is ADNVFXZTUQYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-16-13(17-20-10)12-4-2-3-6-18(12)8-11-9-19-7-5-15-14(19)21-11/h5,7,9,12H,2-4,6,8H2,1H3.
What are the key properties of 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 303.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 154781094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).