5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole

C10H17N3S2 — CID 58792110

IUPAC5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C10H17N3S2/c1-7-4-8(2)6-13(5-7)10-11-9(14-3)12-15-10/h7-8H,4-6H2,1-3H3
InChIKeyXWFJTQZSKHGHCD-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.74
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole

5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 58792110) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID58792110
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C10H17N3S2/c1-7-4-8(2)6-13(5-7)10-11-9(14-3)12-15-10/h7-8H,4-6H2,1-3H3
InChIKeyXWFJTQZSKHGHCD-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methylthio-5-(3-trifluoromethylpiperidino)-1,2,4-thiadiazole
CID 58792132
N,N-dibutyl-5-piperidin-1-yl-1,2,4-thiadiazol-3-amine
CID 321849
3-Chloro-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 40516186
5-(3,5-Dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole
CID 58792103
5-(4-Propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole
CID 59598934
5-(3,5-Diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
CID 69216943
5-(3,5-Diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
CID 69217026
3-Methylsulfinyl-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 69217516
5-(3,5-Diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
CID 69219767
3-Methylsulfonyl-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 69220520
5-(3,5-Dimethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 89385947
5-(2,2-Diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
CID 141618608

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole (CID 58792110) is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole is CSc1nsc(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is XWFJTQZSKHGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-7-4-8(2)6-13(5-7)10-11-9(14-3)12-15-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 243.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 58792110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).