N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide

C13H19N7O2S — CID 126439065

IUPACN-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CSc2nnc([C@H]3CCCNC3)n2C)no1
InChIInChI=1S/C13H19N7O2S/c1-14-11(21)12-16-9(19-22-12)7-23-13-18-17-10(20(13)2)8-4-3-5-15-6-8/h8,15H,3-7H2,1-2H3,(H,14,21)/t8-/m0/s1
InChIKeyMUGCEOHGDGXBJQ-QMMMGPOBSA-N
MW337.41 g/mol
LogP0.32
Rot. Bonds5

About N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide

N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 126439065) has the molecular formula C13H19N7O2S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID126439065
Molecular FormulaC13H19N7O2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC NameN-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CSc2nnc([C@H]3CCCNC3)n2C)no1
InChIInChI=1S/C13H19N7O2S/c1-14-11(21)12-16-9(19-22-12)7-23-13-18-17-10(20(13)2)8-4-3-5-15-6-8/h8,15H,3-7H2,1-2H3,(H,14,21)/t8-/m0/s1
InChIKeyMUGCEOHGDGXBJQ-QMMMGPOBSA-N
XLogP0.32
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 154906421
5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide
CID 125442309
5-(furan-2-yl)-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 126444004
2-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 126452046
N-cyclopropyl-2-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126439922
2-methyl-5-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 121496030
2-methyl-5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-thiadiazole
CID 126426132
3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 126433718
2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 154904171
acetic acid;3-[4-methyl-5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 154907670
N,N-diethyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;hydrochloride
CID 154906350
(3R)-3-[4-methyl-5-(2-methylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 126446949

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide (CID 126439065) is N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CSc2nnc([C@H]3CCCNC3)n2C)no1.
What is the InChIKey of N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MUGCEOHGDGXBJQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N7O2S/c1-14-11(21)12-16-9(19-22-12)7-23-13-18-17-10(20(13)2)8-4-3-5-15-6-8/h8,15H,3-7H2,1-2H3,(H,14,21)/t8-/m0/s1.
What are the key properties of N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide?
N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 126439065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).