4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole

C5H4Br3NS — CID 5324812

IUPAC4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole
SMILESBrCc1ncsc1C(Br)Br
InChIInChI=1S/C5H4Br3NS/c6-1-3-4(5(7)8)10-2-9-3/h2,5H,1H2
InChIKeyBZJZWPBZXCUOGB-UHFFFAOYSA-N
MW349.87 g/mol
LogP3.83
Rot. Bonds2

About 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole

4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole (PubChem CID 5324812) has the molecular formula C5H4Br3NS and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole
PubChem CID5324812
Molecular FormulaC5H4Br3NS
Molecular Weight349.87 g/mol
Exact Mass346.76
IUPAC Name4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole
SMILESBrCc1ncsc1C(Br)Br
InChIInChI=1S/C5H4Br3NS/c6-1-3-4(5(7)8)10-2-9-3/h2,5H,1H2
InChIKeyBZJZWPBZXCUOGB-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 53.83
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 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole (CID 5324812) is 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole is BrCc1ncsc1C(Br)Br.
What is the InChIKey of 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole?
The InChIKey is BZJZWPBZXCUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br3NS/c6-1-3-4(5(7)8)10-2-9-3/h2,5H,1H2.
What are the key properties of 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole?
4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole has a molecular weight of 349.87 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(dibromomethyl)-1,3-thiazole is sourced from PubChem (CID 5324812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).