5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole

C10H16BrN3S — CID 164645088

IUPAC5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(CBr)C1CCCCN1c1ncns1
InChIInChI=1S/C10H16BrN3S/c1-8(6-11)9-4-2-3-5-14(9)10-12-7-13-15-10/h7-9H,2-6H2,1H3
InChIKeyORJFEUHYVGGTLN-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.93
Rot. Bonds3

About 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole

5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 164645088) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID164645088
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(CBr)C1CCCCN1c1ncns1
InChIInChI=1S/C10H16BrN3S/c1-8(6-11)9-4-2-3-5-14(9)10-12-7-13-15-10/h7-9H,2-6H2,1H3
InChIKeyORJFEUHYVGGTLN-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(bromomethyl)azepan-1-yl]-1,2,4-thiadiazole
CID 116638780
N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 65280147
2-(1-bromopropan-2-yl)-1-propan-2-ylpiperidine
CID 164645144
5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 166278684
N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105624
3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 97257166
7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 98856258
5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 80675546
[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65275221
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377107
1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]ethanamine
CID 107305339

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 164645088) is 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole is CC(CBr)C1CCCCN1c1ncns1.
What is the InChIKey of 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is ORJFEUHYVGGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-8(6-11)9-4-2-3-5-14(9)10-12-7-13-15-10/h7-9H,2-6H2,1H3.
What are the key properties of 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole?
5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 290.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 164645088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).