3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

C18H19N5O2S — CID 70756366

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H19N5O2S/c1-12-15(26-11-20-12)4-5-16(24)23-10-2-3-14(23)18-21-17(22-25-18)13-6-8-19-9-7-13/h6-9,11,14H,2-5,10H2,1H3/t14-/m0/s1
InChIKeyZAIHMCOGGMWAIK-AWEZNQCLSA-N
MW369.45 g/mol
LogP3.19
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 70756366) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID70756366
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H19N5O2S/c1-12-15(26-11-20-12)4-5-16(24)23-10-2-3-14(23)18-21-17(22-25-18)13-6-8-19-9-7-13/h6-9,11,14H,2-5,10H2,1H3/t14-/m0/s1
InChIKeyZAIHMCOGGMWAIK-AWEZNQCLSA-N
XLogP3.19
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methyl-1,3-thiazol-5-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 78082382
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 96574369
4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 135116483
1-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95110773
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70783288
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55890064
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 131951057
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 72923805
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70727121
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 46698938
2-indazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 29026030

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 70756366) is 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is Cc1ncsc1CCC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZAIHMCOGGMWAIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-15(26-11-20-12)4-5-16(24)23-10-2-3-14(23)18-21-17(22-25-18)13-6-8-19-9-7-13/h6-9,11,14H,2-5,10H2,1H3/t14-/m0/s1.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 369.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 70756366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).