2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole

C6HBr2Cl3N2S2 — CID 159000091

IUPAC2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole
SMILESClc1csc(Cl)n1.Clc1nc(Br)sc1Br
InChIInChI=1S/C3Br2ClNS.C3HCl2NS/c4-1-2(6)7-3(5)8-1;4-2-1-7-3(5)6-2/h;1H
InChIKeyJRFTXYYNMLVGFH-UHFFFAOYSA-N
MW431.39 g/mol
LogP5.77
Rot. Bonds

About 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole

2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole (PubChem CID 159000091) has the molecular formula C6HBr2Cl3N2S2 and a molecular weight of 431.39 g/mol. Its IUPAC name is 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole.

Molecular Properties

Compound Name2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole
PubChem CID159000091
Molecular FormulaC6HBr2Cl3N2S2
Molecular Weight431.39 g/mol
Exact Mass427.70
IUPAC Name2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole
SMILESClc1csc(Cl)n1.Clc1nc(Br)sc1Br
InChIInChI=1S/C3Br2ClNS.C3HCl2NS/c4-1-2(6)7-3(5)8-1;4-2-1-7-3(5)6-2/h;1H
InChIKeyJRFTXYYNMLVGFH-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole?
The IUPAC name of 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole (CID 159000091) is 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole.
What is the SMILES notation for 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole?
The canonical SMILES for 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole is Clc1csc(Cl)n1.Clc1nc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole?
The InChIKey is JRFTXYYNMLVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Br2ClNS.C3HCl2NS/c4-1-2(6)7-3(5)8-1;4-2-1-7-3(5)6-2/h;1H.
What are the key properties of 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole?
2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole has a molecular weight of 431.39 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-chloro-1,3-thiazole;2,4-dichloro-1,3-thiazole is sourced from PubChem (CID 159000091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).