5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C10H17N3S — CID 99811960

IUPAC5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCC[C@H]1CCCN(c2nc(C)ns2)C1
InChIInChI=1S/C10H17N3S/c1-3-9-5-4-6-13(7-9)10-11-8(2)12-14-10/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYTHWIDXXLHRDHG-VIFPVBQESA-N
MW211.33 g/mol
LogP2.47
Rot. Bonds2

About 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 99811960) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID99811960
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCC[C@H]1CCCN(c2nc(C)ns2)C1
InChIInChI=1S/C10H17N3S/c1-3-9-5-4-6-13(7-9)10-11-8(2)12-14-10/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYTHWIDXXLHRDHG-VIFPVBQESA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127447355
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
3-cyclohexyl-5-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164630168
3-cyclohexyl-5-[3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 128850076
3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133428675
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
CID 65276254

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 99811960) is 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole is CC[C@H]1CCCN(c2nc(C)ns2)C1.
What is the InChIKey of 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is YTHWIDXXLHRDHG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-5-4-6-13(7-9)10-11-8(2)12-14-10/h9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 211.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 99811960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).