2,4-bis(bromomethyl)-1,3-thiazole

C5H5Br2NS — CID 130153821

IUPAC2,4-bis(bromomethyl)-1,3-thiazole
SMILESBrCc1csc(CBr)n1
InChIInChI=1S/C5H5Br2NS/c6-1-4-3-9-5(2-7)8-4/h3H,1-2H2
InChIKeyDHPWVXRERIGOHM-UHFFFAOYSA-N
MW270.98 g/mol
LogP2.93
Rot. Bonds2

About 2,4-bis(bromomethyl)-1,3-thiazole

2,4-bis(bromomethyl)-1,3-thiazole (PubChem CID 130153821) has the molecular formula C5H5Br2NS and a molecular weight of 270.98 g/mol. Its IUPAC name is 2,4-bis(bromomethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis(bromomethyl)-1,3-thiazole
PubChem CID130153821
Molecular FormulaC5H5Br2NS
Molecular Weight270.98 g/mol
Exact Mass268.85
IUPAC Name2,4-bis(bromomethyl)-1,3-thiazole
SMILESBrCc1csc(CBr)n1
InChIInChI=1S/C5H5Br2NS/c6-1-4-3-9-5(2-7)8-4/h3H,1-2H2
InChIKeyDHPWVXRERIGOHM-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.98
LogP ≤ 52.93
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 2,4-bis(bromomethyl)-1,3-thiazole?
The IUPAC name of 2,4-bis(bromomethyl)-1,3-thiazole (CID 130153821) is 2,4-bis(bromomethyl)-1,3-thiazole.
What is the SMILES notation for 2,4-bis(bromomethyl)-1,3-thiazole?
The canonical SMILES for 2,4-bis(bromomethyl)-1,3-thiazole is BrCc1csc(CBr)n1.
What is the InChIKey of 2,4-bis(bromomethyl)-1,3-thiazole?
The InChIKey is DHPWVXRERIGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NS/c6-1-4-3-9-5(2-7)8-4/h3H,1-2H2.
What are the key properties of 2,4-bis(bromomethyl)-1,3-thiazole?
2,4-bis(bromomethyl)-1,3-thiazole has a molecular weight of 270.98 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(bromomethyl)-1,3-thiazole is sourced from PubChem (CID 130153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).