4-[(3-bromophenoxy)methyl]thiadiazol-5-amine

C9H8BrN3OS — CID 62193534

IUPAC4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cccc(Br)c1
InChIInChI=1S/C9H8BrN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)15-13-12-8/h1-4H,5,11H2
InChIKeySZCWJZARLPWYPV-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.46
Rot. Bonds3

About 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine

4-[(3-bromophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193534) has the molecular formula C9H8BrN3OS and a molecular weight of 286.15 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
PubChem CID62193534
Molecular FormulaC9H8BrN3OS
Molecular Weight286.15 g/mol
Exact Mass284.96
IUPAC Name4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cccc(Br)c1
InChIInChI=1S/C9H8BrN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)15-13-12-8/h1-4H,5,11H2
InChIKeySZCWJZARLPWYPV-UHFFFAOYSA-N
XLogP2.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
CID 55044701
4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
CID 62193307
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 113303014
4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62195183
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893
2-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721332
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine (CID 62193534) is 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is SZCWJZARLPWYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)15-13-12-8/h1-4H,5,11H2.
What are the key properties of 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine?
4-[(3-bromophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 286.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).