5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole

C10H6BrCl2NS — CID 116887927

IUPAC5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(Cl)c(Cl)c2)sc1Br
InChIInChI=1S/C10H6BrCl2NS/c1-5-9(11)15-10(14-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3
InChIKeyCYQBDADTXBNOLR-UHFFFAOYSA-N
MW323.04 g/mol
LogP5.19
Rot. Bonds1

About 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole

5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole (PubChem CID 116887927) has the molecular formula C10H6BrCl2NS and a molecular weight of 323.04 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
PubChem CID116887927
Molecular FormulaC10H6BrCl2NS
Molecular Weight323.04 g/mol
Exact Mass320.88
IUPAC Name5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(Cl)c(Cl)c2)sc1Br
InChIInChI=1S/C10H6BrCl2NS/c1-5-9(11)15-10(14-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3
InChIKeyCYQBDADTXBNOLR-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.04
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole (CID 116887927) is 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole is Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1Br.
What is the InChIKey of 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is CYQBDADTXBNOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2NS/c1-5-9(11)15-10(14-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3.
What are the key properties of 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole?
5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 323.04 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116887927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).