4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine

C11H12BrN3OS — CID 82832358

IUPAC4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COCc1cccc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-13-11-10(14-15-17-11)7-16-6-8-3-2-4-9(12)5-8/h2-5,13H,6-7H2,1H3
InChIKeyLGPXFHJIEIXDDZ-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.06
Rot. Bonds5

About 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine

4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine (PubChem CID 82832358) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
PubChem CID82832358
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COCc1cccc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-13-11-10(14-15-17-11)7-16-6-8-3-2-4-9(12)5-8/h2-5,13H,6-7H2,1H3
InChIKeyLGPXFHJIEIXDDZ-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62195635
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 82832131
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
1-bromo-3-(propoxymethyl)benzene
CID 57057286
4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
CID 62208650
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine
CID 62193214
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
CID 62188547
4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184109
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine (CID 82832358) is 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine is CNc1snnc1COCc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine?
The InChIKey is LGPXFHJIEIXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-13-11-10(14-15-17-11)7-16-6-8-3-2-4-9(12)5-8/h2-5,13H,6-7H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine?
4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine has a molecular weight of 314.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 82832358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).