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

C12H21N3S2 — CID 69219767

IUPAC5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCCC1CC(CC)CN(c2nc(SC)ns2)C1
InChIInChI=1S/C12H21N3S2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(16-3)14-17-12/h9-10H,4-8H2,1-3H3
InChIKeyKUVPKACHDYNLKA-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.52
Rot. Bonds4

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

5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 69219767) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID69219767
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCCC1CC(CC)CN(c2nc(SC)ns2)C1
InChIInChI=1S/C12H21N3S2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(16-3)14-17-12/h9-10H,4-8H2,1-3H3
InChIKeyKUVPKACHDYNLKA-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.52
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
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
3-Methylthio-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 58792110
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
3-Methylsulfonyl-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 69220520
5-(2,2-Diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
CID 141618608
5-(2,3-Dimethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66277940
5-(3-Ethylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66278146
5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278369

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole (CID 69219767) is 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole is CCC1CC(CC)CN(c2nc(SC)ns2)C1.
What is the InChIKey of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is KUVPKACHDYNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(16-3)14-17-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 271.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 69219767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).