2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole

C16H11Br2NS — CID 79831174

IUPAC2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11Br2NS/c1-10-15(11-6-8-12(17)9-7-11)19-16(20-10)13-4-2-3-5-14(13)18/h2-9H,1H3
InChIKeyBVPUANHXGHSXGH-UHFFFAOYSA-N
MW409.15 g/mol
LogP6.31
Rot. Bonds2

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

2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole (PubChem CID 79831174) has the molecular formula C16H11Br2NS and a molecular weight of 409.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
PubChem CID79831174
Molecular FormulaC16H11Br2NS
Molecular Weight409.15 g/mol
Exact Mass406.90
IUPAC Name2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11Br2NS/c1-10-15(11-6-8-12(17)9-7-11)19-16(20-10)13-4-2-3-5-14(13)18/h2-9H,1H3
InChIKeyBVPUANHXGHSXGH-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.15
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole (CID 79831174) is 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccccc2Br)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole?
The InChIKey is BVPUANHXGHSXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NS/c1-10-15(11-6-8-12(17)9-7-11)19-16(20-10)13-4-2-3-5-14(13)18/h2-9H,1H3.
What are the key properties of 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole?
2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole has a molecular weight of 409.15 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79831174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).