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

C16H11Br2NS — CID 78907473

IUPAC2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11Br2NS/c1-10-15(11-2-6-13(17)7-3-11)19-16(20-10)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKeyUWLSAYSGGDMKHM-UHFFFAOYSA-N
MW409.15 g/mol
LogP6.31
Rot. Bonds2

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

2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole (PubChem CID 78907473) has the molecular formula C16H11Br2NS and a molecular weight of 409.15 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
PubChem CID78907473
Molecular FormulaC16H11Br2NS
Molecular Weight409.15 g/mol
Exact Mass406.90
IUPAC Name2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11Br2NS/c1-10-15(11-2-6-13(17)7-3-11)19-16(20-10)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKeyUWLSAYSGGDMKHM-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 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole (CID 78907473) is 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole?
The InChIKey is UWLSAYSGGDMKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NS/c1-10-15(11-2-6-13(17)7-3-11)19-16(20-10)12-4-8-14(18)9-5-12/h2-9H,1H3.
What are the key properties of 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole?
2,4-bis(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 2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 78907473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).