3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole

C6H9BrN2OS — CID 102943446

IUPAC3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole
SMILESCOCCCc1nc(Br)ns1
InChIInChI=1S/C6H9BrN2OS/c1-10-4-2-3-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyPQRVGRUKLBXNOM-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.88
Rot. Bonds4

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

3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole (PubChem CID 102943446) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole
PubChem CID102943446
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole
SMILESCOCCCc1nc(Br)ns1
InChIInChI=1S/C6H9BrN2OS/c1-10-4-2-3-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyPQRVGRUKLBXNOM-UHFFFAOYSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
3-Bromo-5-(2-ethoxyethynyl)-1,2,4-thiadiazole
CID 141498485
5-(2-Methoxyethyl)-1,2,4-thiadiazol-3-amine
CID 64545277
3-(3-Methoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65094704
5-(2-Bromo-3-methoxypropyl)-3-methyl-1,2,4-thiadiazole
CID 65273594
5-(2-Bromo-3-methoxypropyl)-3-ethyl-1,2,4-thiadiazole
CID 65280744
5-(2-Bromo-3-methoxypropyl)-3-propyl-1,2,4-thiadiazole
CID 65280800
5-(3-Methoxypropyl)-1,2,4-thiadiazol-3-amine
CID 80356026
5-(3-Ethoxypropyl)-1,2,4-thiadiazol-3-amine
CID 80356027
5-(3-Methoxy-2-methylpropyl)-1,2,4-thiadiazol-3-amine
CID 80356120
5-Bromo-3-(3-methoxypropyl)-1,2,4-thiadiazole
CID 102618154
5-Bromo-3-(2-methoxypropyl)-1,2,4-thiadiazole
CID 102618220

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole (CID 102943446) is 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole is COCCCc1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole?
The InChIKey is PQRVGRUKLBXNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-10-4-2-3-5-8-6(7)9-11-5/h2-4H2,1H3.
What are the key properties of 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole?
3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole has a molecular weight of 237.12 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).