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

C12H14N4O2S — CID 95824398

IUPAC[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1noc([C@@H]2CCCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C12H14N4O2S/c1-8-14-11(18-15-8)9-3-2-4-16(5-9)12(17)10-6-19-7-13-10/h6-7,9H,2-5H2,1H3/t9-/m1/s1
InChIKeyXOBMKHQNJVDBIA-SECBINFHSA-N
MW278.34 g/mol
LogP1.85
Rot. Bonds2

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

[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95824398) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95824398
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1noc([C@@H]2CCCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C12H14N4O2S/c1-8-14-11(18-15-8)9-3-2-4-16(5-9)12(17)10-6-19-7-13-10/h6-7,9H,2-5H2,1H3/t9-/m1/s1
InChIKeyXOBMKHQNJVDBIA-SECBINFHSA-N
XLogP1.85
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3aR,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 124811162
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(2,5-dichlorothiophen-3-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526769
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 146122533
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95824398) is [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1noc([C@@H]2CCCN(C(=O)c3cscn3)C2)n1.
What is the InChIKey of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XOBMKHQNJVDBIA-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-14-11(18-15-8)9-3-2-4-16(5-9)12(17)10-6-19-7-13-10/h6-7,9H,2-5H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 278.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95824398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).