(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C16H16N6O2S — CID 91915276

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3noc(-c4cnccn4)n3)C2)s1
InChIInChI=1S/C16H16N6O2S/c1-9-13(25-10(2)19-9)16(23)22-6-3-11(8-22)14-20-15(24-21-14)12-7-17-4-5-18-12/h4-5,7,11H,3,6,8H2,1-2H3
InChIKeyYBHRHLBOQHREMT-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.23
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 91915276) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID91915276
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3noc(-c4cnccn4)n3)C2)s1
InChIInChI=1S/C16H16N6O2S/c1-9-13(25-10(2)19-9)16(23)22-6-3-11(8-22)14-20-15(24-21-14)12-7-17-4-5-18-12/h4-5,7,11H,3,6,8H2,1-2H3
InChIKeyYBHRHLBOQHREMT-UHFFFAOYSA-N
XLogP2.23
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 51503010
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221251
[3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 91908841
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125022774
(4,5-dimethylthiophen-3-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221258

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 91915276) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(c3noc(-c4cnccn4)n3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YBHRHLBOQHREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-9-13(25-10(2)19-9)16(23)22-6-3-11(8-22)14-20-15(24-21-14)12-7-17-4-5-18-12/h4-5,7,11H,3,6,8H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 356.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91915276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).