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

C14H19N5O2S — CID 95734846

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCC[C@H](c2noc(C)n2)C1
InChIInChI=1S/C14H19N5O2S/c1-8-11(13(15-3)22-18-8)14(20)19-6-4-5-10(7-19)12-16-9(2)21-17-12/h10,15H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyIWQAWGDXYPPAKB-JTQLQIEISA-N
MW321.41 g/mol
LogP2.20
Rot. Bonds3

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

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95734846) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID95734846
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCC[C@H](c2noc(C)n2)C1
InChIInChI=1S/C14H19N5O2S/c1-8-11(13(15-3)22-18-8)14(20)19-6-4-5-10(7-19)12-16-9(2)21-17-12/h10,15H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyIWQAWGDXYPPAKB-JTQLQIEISA-N
XLogP2.20
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 34676483
(2-methylfuran-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734449
(5-bromofuran-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734556
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 95734835
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815921
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734855
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95774238

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95734846) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is CNc1snc(C)c1C(=O)N1CCC[C@H](c2noc(C)n2)C1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is IWQAWGDXYPPAKB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8-11(13(15-3)22-18-8)14(20)19-6-4-5-10(7-19)12-16-9(2)21-17-12/h10,15H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 321.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95734846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).