2,4-dibromo-1,3-thiazole

C3HBr2NS — CID 2763297

IUPAC2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1
InChIInChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H
InChIKeyMKEJZKKVVUZXIS-UHFFFAOYSA-N
MW242.92 g/mol
LogP2.67
Rot. Bonds

About 2,4-dibromo-1,3-thiazole

2,4-dibromo-1,3-thiazole (PubChem CID 2763297) has the molecular formula C3HBr2NS and a molecular weight of 242.92 g/mol. Its IUPAC name is 2,4-dibromo-1,3-thiazole.

Molecular Properties

Compound Name2,4-dibromo-1,3-thiazole
PubChem CID2763297
Molecular FormulaC3HBr2NS
Molecular Weight242.92 g/mol
Exact Mass240.82
IUPAC Name2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1
InChIInChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H
InChIKeyMKEJZKKVVUZXIS-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.92
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromothiazole
CID 2763218
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-(trimethylsilyl)-1,3-thiazole
CID 4340399
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
2-Bromo-4-chloro-1,3-thiazole
CID 15141964
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3-thiazole?
The IUPAC name of 2,4-dibromo-1,3-thiazole (CID 2763297) is 2,4-dibromo-1,3-thiazole.
What is the SMILES notation for 2,4-dibromo-1,3-thiazole?
The canonical SMILES for 2,4-dibromo-1,3-thiazole is Brc1csc(Br)n1.
What is the InChIKey of 2,4-dibromo-1,3-thiazole?
The InChIKey is MKEJZKKVVUZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H.
What are the key properties of 2,4-dibromo-1,3-thiazole?
2,4-dibromo-1,3-thiazole has a molecular weight of 242.92 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3-thiazole is sourced from PubChem (CID 2763297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).