(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C17H17N5O2S — CID 51503010

IUPAC(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C17H17N5O2S/c1-11-14(25-10-19-11)17(23)22-8-4-5-12(9-22)15-20-16(24-21-15)13-6-2-3-7-18-13/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t12-/m1/s1
InChIKeyMCAKAFVFZCRDNC-GFCCVEGCSA-N
MW355.42 g/mol
LogP2.92
Rot. Bonds3

About (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 51503010) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID51503010
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C17H17N5O2S/c1-11-14(25-10-19-11)17(23)22-8-4-5-12(9-22)15-20-16(24-21-15)13-6-2-3-7-18-13/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t12-/m1/s1
InChIKeyMCAKAFVFZCRDNC-GFCCVEGCSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51503012
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 46965540
(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110268009
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 51501232
[(3S)-3-[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964276
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
(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

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (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) is (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is MCAKAFVFZCRDNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11-14(25-10-19-11)17(23)22-8-4-5-12(9-22)15-20-16(24-21-15)13-6-2-3-7-18-13/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 355.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51503010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).