5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole

C11H11BrN2S — CID 65272745

IUPAC5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(CC(Br)c2ccccc2)n1
InChIInChI=1S/C11H11BrN2S/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyXHPVFCNFRNKQBR-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.53
Rot. Bonds3

About 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole

5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 65272745) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole
PubChem CID65272745
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(CC(Br)c2ccccc2)n1
InChIInChI=1S/C11H11BrN2S/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyXHPVFCNFRNKQBR-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65272739
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65280107
2-[2-bromo-2-(4-ethoxyphenyl)ethyl]-1,3-benzothiazole
CID 66460052
3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133345383
N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
CID 65268088
4-(2-bromo-2-phenylethyl)-N,N-dimethylpyrimidin-2-amine
CID 64829330
1-(2-bromo-2-phenylethyl)-2-methylsulfonylbenzene
CID 55162418
5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
CID 63873636
3-(2-bromophenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanoic acid
CID 104572509
2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807
N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine
CID 133320829
5-(2-chloro-2-phenylethyl)-3-cyclopropyl-1,2,4-thiadiazole
CID 65280071

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole (CID 65272745) is 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(CC(Br)c2ccccc2)n1.
What is the InChIKey of 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is XHPVFCNFRNKQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3.
What are the key properties of 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole?
5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 283.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).