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

C13H20ClN7O2S — CID 154906421

IUPACN-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
SMILESCNC(=O)c1nc(CSc2nnc(C3CCCNC3)n2C)no1.Cl
InChIInChI=1S/C13H19N7O2S.ClH/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);1H
InChIKeyQNGONUKFBAJSLU-UHFFFAOYSA-N
MW373.87 g/mol
LogP0.74
Rot. Bonds5

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

N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride (PubChem CID 154906421) has the molecular formula C13H20ClN7O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
PubChem CID154906421
Molecular FormulaC13H20ClN7O2S
Molecular Weight373.87 g/mol
Exact Mass373.11
IUPAC NameN-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
SMILESCNC(=O)c1nc(CSc2nnc(C3CCCNC3)n2C)no1.Cl
InChIInChI=1S/C13H19N7O2S.ClH/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);1H
InChIKeyQNGONUKFBAJSLU-UHFFFAOYSA-N
XLogP0.74
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 154904171
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
N,N-diethyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;hydrochloride
CID 154906350
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
acetic acid;3-[4-methyl-5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 154907670
4-methyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole;hydrochloride
CID 154906164

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The IUPAC name of 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) is N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride is CNC(=O)c1nc(CSc2nnc(C3CCCNC3)n2C)no1.Cl.
What is the InChIKey of N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The InChIKey is QNGONUKFBAJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2S.ClH/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);1H.
What are the key properties of N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
N-methyl-3-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride has a molecular weight of 373.87 g/mol, XLogP of 0.74, 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-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 154906421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).