4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole

C6H3Br3N2S2 — CID 158109442

IUPAC4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1.Brc1cscn1
InChIInChI=1S/C3HBr2NS.C3H2BrNS/c4-2-1-7-3(5)6-2;4-3-1-6-2-5-3/h1H;1-2H
InChIKeyFQFYYQDZNBMCDO-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.57
Rot. Bonds

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

4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole (PubChem CID 158109442) has the molecular formula C6H3Br3N2S2 and a molecular weight of 406.95 g/mol. Its IUPAC name is 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole
PubChem CID158109442
Molecular FormulaC6H3Br3N2S2
Molecular Weight406.95 g/mol
Exact Mass403.73
IUPAC Name4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole
SMILESBrc1csc(Br)n1.Brc1cscn1
InChIInChI=1S/C3HBr2NS.C3H2BrNS/c4-2-1-7-3(5)6-2;4-3-1-6-2-5-3/h1H;1-2H
InChIKeyFQFYYQDZNBMCDO-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1,3-thiazole;4-(1,3-thiazol-4-yl)benzaldehyde
CID 159088627
4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine
CID 172993652
4-bromo-2-(bromomethyl)-1,3-thiazole
CID 59591444
4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole
CID 91325706
1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
CID 114684364
1,3-thiazol-4-ylphosphane
CID 23047202
4-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 79554566
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 44630590
4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
CID 172916098
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
CID 51039708
(2-bromo-1,3-thiazol-4-yl)methanethiol
CID 71650235
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole?
The IUPAC name of 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole (CID 158109442) is 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole.
What is the SMILES notation for 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole?
The canonical SMILES for 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole is Brc1csc(Br)n1.Brc1cscn1.
What is the InChIKey of 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole?
The InChIKey is FQFYYQDZNBMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2NS.C3H2BrNS/c4-2-1-7-3(5)6-2;4-3-1-6-2-5-3/h1H;1-2H.
What are the key properties of 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole?
4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole has a molecular weight of 406.95 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-thiazole;2,4-dibromo-1,3-thiazole is sourced from PubChem (CID 158109442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).