4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole

C10H7Br2NS — CID 116892245

IUPAC4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
SMILESCc1ccc(Br)cc1-c1nc(Br)cs1
InChIInChI=1S/C10H7Br2NS/c1-6-2-3-7(11)4-8(6)10-13-9(12)5-14-10/h2-5H,1H3
InChIKeyJTYIFDNDEIDARM-UHFFFAOYSA-N
MW333.05 g/mol
LogP4.64
Rot. Bonds1

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

4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole (PubChem CID 116892245) has the molecular formula C10H7Br2NS and a molecular weight of 333.05 g/mol. Its IUPAC name is 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
PubChem CID116892245
Molecular FormulaC10H7Br2NS
Molecular Weight333.05 g/mol
Exact Mass330.87
IUPAC Name4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
SMILESCc1ccc(Br)cc1-c1nc(Br)cs1
InChIInChI=1S/C10H7Br2NS/c1-6-2-3-7(11)4-8(6)10-13-9(12)5-14-10/h2-5H,1H3
InChIKeyJTYIFDNDEIDARM-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-(5-bromo-2-methylphenyl)-1,3-thiazol-4-amine
CID 116864241
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
4-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethylbenzaldehyde
CID 165456748
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967689
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
CID 155230325
2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217
1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 103083716
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole (CID 116892245) is 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole is Cc1ccc(Br)cc1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole?
The InChIKey is JTYIFDNDEIDARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NS/c1-6-2-3-7(11)4-8(6)10-13-9(12)5-14-10/h2-5H,1H3.
What are the key properties of 4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole?
4-bromo-2-(5-bromo-2-methylphenyl)-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-(5-bromo-2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116892245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).