5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole

C10H16BrN3S — CID 131086575

IUPAC5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC(C)CC(Br)C2)n1
InChIInChI=1S/C10H16BrN3S/c1-3-9-12-10(15-13-9)14-5-7(2)4-8(11)6-14/h7-8H,3-6H2,1-2H3
InChIKeyCIIWTRQDUGASKJ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds2

About 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole

5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 131086575) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID131086575
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC(C)CC(Br)C2)n1
InChIInChI=1S/C10H16BrN3S/c1-3-9-12-10(15-13-9)14-5-7(2)4-8(11)6-14/h7-8H,3-6H2,1-2H3
InChIKeyCIIWTRQDUGASKJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 167763654
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
CID 66213193
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
CID 69217516
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776659
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136561948
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 75425181
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole (CID 131086575) is 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CC(C)CC(Br)C2)n1.
What is the InChIKey of 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is CIIWTRQDUGASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-3-9-12-10(15-13-9)14-5-7(2)4-8(11)6-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 290.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 131086575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).