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

C17H17N5O2S — CID 70783533

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC2c2nc(-c3ccccn3)no2)s1
InChIInChI=1S/C17H17N5O2S/c1-10-14(25-11(2)19-10)17(23)22-9-5-7-13(22)16-20-15(21-24-16)12-6-3-4-8-18-12/h3-4,6,8,13H,5,7,9H2,1-2H3
InChIKeyDDRKBROVHLRRAV-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.18
Rot. Bonds3

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 70783533) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID70783533
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC2c2nc(-c3ccccn3)no2)s1
InChIInChI=1S/C17H17N5O2S/c1-10-14(25-11(2)19-10)17(23)22-9-5-7-13(22)16-20-15(21-24-16)12-6-3-4-8-18-12/h3-4,6,8,13H,5,7,9H2,1-2H3
InChIKeyDDRKBROVHLRRAV-UHFFFAOYSA-N
XLogP3.18
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

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CID 136850203
2-(N-methylanilino)-1-[(2R)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 97125511
pyrazolo[1,5-a]pyrimidin-3-yl-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70725693
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950849
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950850
(2-methyl-1,3-thiazol-5-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70769319
5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one
CID 97201209
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 31920191
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 72878224
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 124959977

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 70783533) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC2c2nc(-c3ccccn3)no2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DDRKBROVHLRRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-14(25-11(2)19-10)17(23)22-9-5-7-13(22)16-20-15(21-24-16)12-6-3-4-8-18-12/h3-4,6,8,13H,5,7,9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 355.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70783533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).