5-bromo-2-(3-bromopropyl)-1,3-thiazole

C6H7Br2NS — CID 165443494

IUPAC5-bromo-2-(3-bromopropyl)-1,3-thiazole
SMILESBrCCCc1ncc(Br)s1
InChIInChI=1S/C6H7Br2NS/c7-3-1-2-6-9-4-5(8)10-6/h4H,1-3H2
InChIKeyPFMAIRKPIBCDGY-UHFFFAOYSA-N
MW285.00 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-2-(3-bromopropyl)-1,3-thiazole

5-bromo-2-(3-bromopropyl)-1,3-thiazole (PubChem CID 165443494) has the molecular formula C6H7Br2NS and a molecular weight of 285.00 g/mol. Its IUPAC name is 5-bromo-2-(3-bromopropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3-bromopropyl)-1,3-thiazole
PubChem CID165443494
Molecular FormulaC6H7Br2NS
Molecular Weight285.00 g/mol
Exact Mass282.87
IUPAC Name5-bromo-2-(3-bromopropyl)-1,3-thiazole
SMILESBrCCCc1ncc(Br)s1
InChIInChI=1S/C6H7Br2NS/c7-3-1-2-6-9-4-5(8)10-6/h4H,1-3H2
InChIKeyPFMAIRKPIBCDGY-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.00
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromopropyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3-bromopropyl)-1,3-thiazole (CID 165443494) is 5-bromo-2-(3-bromopropyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3-bromopropyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3-bromopropyl)-1,3-thiazole is BrCCCc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(3-bromopropyl)-1,3-thiazole?
The InChIKey is PFMAIRKPIBCDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NS/c7-3-1-2-6-9-4-5(8)10-6/h4H,1-3H2.
What are the key properties of 5-bromo-2-(3-bromopropyl)-1,3-thiazole?
5-bromo-2-(3-bromopropyl)-1,3-thiazole has a molecular weight of 285.00 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromopropyl)-1,3-thiazole is sourced from PubChem (CID 165443494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).