3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C11H14N4OS — CID 94605740

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc([C@H]3CCCN3)n2)n1
InChIInChI=1S/C11H14N4OS/c1-7-6-17-10(13-7)5-9-14-11(16-15-9)8-3-2-4-12-8/h6,8,12H,2-5H2,1H3/t8-/m1/s1
InChIKeyHLKSLECOUMEUTH-MRVPVSSYSA-N
MW250.33 g/mol
LogP1.85
Rot. Bonds3

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 94605740) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID94605740
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1csc(Cc2noc([C@H]3CCCN3)n2)n1
InChIInChI=1S/C11H14N4OS/c1-7-6-17-10(13-7)5-9-14-11(16-15-9)8-3-2-4-12-8/h6,8,12H,2-5H2,1H3/t8-/m1/s1
InChIKeyHLKSLECOUMEUTH-MRVPVSSYSA-N
XLogP1.85
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900529
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
3-[(3,5-dimethylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 62595921
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 62797030
cis-(1S,3R)-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173528
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 130991357
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524565
1-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 130964669
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 94605740) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1csc(Cc2noc([C@H]3CCCN3)n2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is HLKSLECOUMEUTH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-6-17-10(13-7)5-9-14-11(16-15-9)8-3-2-4-12-8/h6,8,12H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 250.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 94605740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).