4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine

C10H10BrN3OS — CID 107285489

IUPAC4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
SMILESCc1ccc(Br)cc1OCc1nnsc1N
InChIInChI=1S/C10H10BrN3OS/c1-6-2-3-7(11)4-9(6)15-5-8-10(12)16-14-13-8/h2-4H,5,12H2,1H3
InChIKeyONFOIOODSREUOU-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.77
Rot. Bonds3

About 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine

4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 107285489) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
PubChem CID107285489
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
SMILESCc1ccc(Br)cc1OCc1nnsc1N
InChIInChI=1S/C10H10BrN3OS/c1-6-2-3-7(11)4-9(6)15-5-8-10(12)16-14-13-8/h2-4H,5,12H2,1H3
InChIKeyONFOIOODSREUOU-UHFFFAOYSA-N
XLogP2.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine (CID 107285489) is 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine is Cc1ccc(Br)cc1OCc1nnsc1N.
What is the InChIKey of 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is ONFOIOODSREUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-6-2-3-7(11)4-9(6)15-5-8-10(12)16-14-13-8/h2-4H,5,12H2,1H3.
What are the key properties of 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine?
4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 300.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107285489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).