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

C12H17N7O2S — CID 125442309

IUPAC5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1c(SCc2nc(C(N)=O)no2)nnc1[C@H]1CCCNC1
InChIInChI=1S/C12H17N7O2S/c1-19-11(7-3-2-4-14-5-7)16-17-12(19)22-6-8-15-10(9(13)20)18-21-8/h7,14H,2-6H2,1H3,(H2,13,20)/t7-/m0/s1
InChIKeyIGQRWTVAYCVGGN-ZETCQYMHSA-N
MW323.38 g/mol
LogP0.06
Rot. Bonds5

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

5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 125442309) has the molecular formula C12H17N7O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID125442309
Molecular FormulaC12H17N7O2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC Name5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1c(SCc2nc(C(N)=O)no2)nnc1[C@H]1CCCNC1
InChIInChI=1S/C12H17N7O2S/c1-19-11(7-3-2-4-14-5-7)16-17-12(19)22-6-8-15-10(9(13)20)18-21-8/h7,14H,2-6H2,1H3,(H2,13,20)/t7-/m0/s1
InChIKeyIGQRWTVAYCVGGN-ZETCQYMHSA-N
XLogP0.06
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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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
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
acetic acid;3-[4-methyl-5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 154907670
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
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
acetic acid;5-tert-butyl-4-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxamide
CID 154907963
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide (CID 125442309) is 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide is Cn1c(SCc2nc(C(N)=O)no2)nnc1[C@H]1CCCNC1.
What is the InChIKey of 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IGQRWTVAYCVGGN-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H17N7O2S/c1-19-11(7-3-2-4-14-5-7)16-17-12(19)22-6-8-15-10(9(13)20)18-21-8/h7,14H,2-6H2,1H3,(H2,13,20)/t7-/m0/s1.
What are the key properties of 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 125442309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).