3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole

C6H9N3OS — CID 112707841

IUPAC3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CSCN2)n1
InChIInChI=1S/C6H9N3OS/c1-4-8-6(10-9-4)5-2-11-3-7-5/h5,7H,2-3H2,1H3
InChIKeyMLOVUVBJGBAMNT-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.71
Rot. Bonds1

About 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole

3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole (PubChem CID 112707841) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole
PubChem CID112707841
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CSCN2)n1
InChIInChI=1S/C6H9N3OS/c1-4-8-6(10-9-4)5-2-11-3-7-5/h5,7H,2-3H2,1H3
InChIKeyMLOVUVBJGBAMNT-UHFFFAOYSA-N
XLogP0.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 130637803
3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893816
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
5-[(2R,4S)-4-ethoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 130608452
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61015389
5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 43111055
5-thiomorpholin-3-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 82904776
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 130763039
5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole
CID 89386331
CID 162193867
CID 162193867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole (CID 112707841) is 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole is Cc1noc(C2CSCN2)n1.
What is the InChIKey of 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MLOVUVBJGBAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-8-6(10-9-4)5-2-11-3-7-5/h5,7H,2-3H2,1H3.
What are the key properties of 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole?
3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 171.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112707841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).