5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C11H18BrN3S — CID 80675546

IUPAC5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCCCC2CBr)n1
InChIInChI=1S/C11H18BrN3S/c1-8(2)10-13-11(16-14-10)15-6-4-3-5-9(15)7-12/h8-9H,3-7H2,1-2H3
InChIKeyVIZUFGNBKPIAQD-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.42
Rot. Bonds3

About 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 80675546) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID80675546
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCCCC2CBr)n1
InChIInChI=1S/C11H18BrN3S/c1-8(2)10-13-11(16-14-10)15-6-4-3-5-9(15)7-12/h8-9H,3-7H2,1-2H3
InChIKeyVIZUFGNBKPIAQD-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.42
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

N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
CID 65280336
5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133428857
5-[2-(bromomethyl)piperidin-1-yl]-3-tert-butyl-1,2,4-thiadiazole
CID 80676484
5-[2-(bromomethyl)azepan-1-yl]-1,2,4-thiadiazole
CID 116638780
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65280581
2-[2-(bromomethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450324
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133426356
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776527
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 80675546) is 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCCCC2CBr)n1.
What is the InChIKey of 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is VIZUFGNBKPIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-8(2)10-13-11(16-14-10)15-6-4-3-5-9(15)7-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 304.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 80675546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).