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

C5H5Br2NS — CID 5324798

IUPAC5-(dibromomethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1C(Br)Br
InChIInChI=1S/C5H5Br2NS/c1-3-4(5(6)7)9-2-8-3/h2,5H,1H3
InChIKeyGUCBPUJWNBTZHY-UHFFFAOYSA-N
MW270.98 g/mol
LogP3.24
Rot. Bonds1

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

5-(dibromomethyl)-4-methyl-1,3-thiazole (PubChem CID 5324798) has the molecular formula C5H5Br2NS and a molecular weight of 270.98 g/mol. Its IUPAC name is 5-(dibromomethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(dibromomethyl)-4-methyl-1,3-thiazole
PubChem CID5324798
Molecular FormulaC5H5Br2NS
Molecular Weight270.98 g/mol
Exact Mass268.85
IUPAC Name5-(dibromomethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1C(Br)Br
InChIInChI=1S/C5H5Br2NS/c1-3-4(5(6)7)9-2-8-3/h2,5H,1H3
InChIKeyGUCBPUJWNBTZHY-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.98
LogP ≤ 53.24
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-(dibromomethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(dibromomethyl)-4-methyl-1,3-thiazole (CID 5324798) is 5-(dibromomethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(dibromomethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(dibromomethyl)-4-methyl-1,3-thiazole is Cc1ncsc1C(Br)Br.
What is the InChIKey of 5-(dibromomethyl)-4-methyl-1,3-thiazole?
The InChIKey is GUCBPUJWNBTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NS/c1-3-4(5(6)7)9-2-8-3/h2,5H,1H3.
What are the key properties of 5-(dibromomethyl)-4-methyl-1,3-thiazole?
5-(dibromomethyl)-4-methyl-1,3-thiazole has a molecular weight of 270.98 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibromomethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 5324798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).