4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole

C9H14BrN3S — CID 130549879

IUPAC4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole
SMILESBrCC1CCN(Cc2csnn2)CC1
InChIInChI=1S/C9H14BrN3S/c10-5-8-1-3-13(4-2-8)6-9-7-14-12-11-9/h7-8H,1-6H2
InChIKeyWUCBMMFYUFQTJH-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.14
Rot. Bonds3

About 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole

4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole (PubChem CID 130549879) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole
PubChem CID130549879
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole
SMILESBrCC1CCN(Cc2csnn2)CC1
InChIInChI=1S/C9H14BrN3S/c10-5-8-1-3-13(4-2-8)6-9-7-14-12-11-9/h7-8H,1-6H2
InChIKeyWUCBMMFYUFQTJH-UHFFFAOYSA-N
XLogP2.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.14
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-propan-2-yl-1-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 115882622
N-methyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 130167577
2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol
CID 115753000
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721
4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine
CID 130592173
4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
CID 126790284
4-(hydroxymethyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-ol
CID 131142933
3-(4-fluorophenyl)-3-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]propanoic acid
CID 167745127
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
4-(bromomethyl)-1-(thiophen-3-ylmethyl)azepane
CID 131162358
4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole
CID 75504152
N-[(4-aminopyrimidin-2-yl)methyl]-N-methyl-1-(thiadiazol-4-ylmethyl)azepan-4-amine
CID 167969747

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole?
The IUPAC name of 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole (CID 130549879) is 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole is BrCC1CCN(Cc2csnn2)CC1.
What is the InChIKey of 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole?
The InChIKey is WUCBMMFYUFQTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c10-5-8-1-3-13(4-2-8)6-9-7-14-12-11-9/h7-8H,1-6H2.
What are the key properties of 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole?
4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole has a molecular weight of 276.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(bromomethyl)piperidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 130549879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).