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

C10H7Br2NS — CID 84609516

IUPAC4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2Br)nc1Br
InChIInChI=1S/C10H7Br2NS/c1-6-9(12)13-10(14-6)7-4-2-3-5-8(7)11/h2-5H,1H3
InChIKeyTTWFZUXRFFXRFS-UHFFFAOYSA-N
MW333.05 g/mol
LogP4.64
Rot. Bonds1

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

4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole (PubChem CID 84609516) has the molecular formula C10H7Br2NS and a molecular weight of 333.05 g/mol. Its IUPAC name is 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
PubChem CID84609516
Molecular FormulaC10H7Br2NS
Molecular Weight333.05 g/mol
Exact Mass330.87
IUPAC Name4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2Br)nc1Br
InChIInChI=1S/C10H7Br2NS/c1-6-9(12)13-10(14-6)7-4-2-3-5-8(7)11/h2-5H,1H3
InChIKeyTTWFZUXRFFXRFS-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
CID 79831174
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 107113804
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
4-(2-bromophenyl)-5-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 79839091
2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanethiol
CID 116885779
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
CID 79832738
4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-amine
CID 79838808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole (CID 84609516) is 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccccc2Br)nc1Br.
What is the InChIKey of 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole?
The InChIKey is TTWFZUXRFFXRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NS/c1-6-9(12)13-10(14-6)7-4-2-3-5-8(7)11/h2-5H,1H3.
What are the key properties of 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole?
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole has a molecular weight of 333.05 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 84609516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).