5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole

C13H14BrNS — CID 82135048

IUPAC5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(-c2ncsc2Br)cc1
InChIInChI=1S/C13H14BrNS/c1-13(2,3)10-6-4-9(5-7-10)11-12(14)16-8-15-11/h4-8H,1-3H3
InChIKeyNXIBMIUJOQBRPX-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.87
Rot. Bonds1

About 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole

5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole (PubChem CID 82135048) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
PubChem CID82135048
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(-c2ncsc2Br)cc1
InChIInChI=1S/C13H14BrNS/c1-13(2,3)10-6-4-9(5-7-10)11-12(14)16-8-15-11/h4-8H,1-3H3
InChIKeyNXIBMIUJOQBRPX-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
CID 82134975
2-(4-tert-butylphenyl)-3-isocyanopyrazine
CID 88858074
5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
CID 116864269
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
CID 134578277
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine
CID 23553551
CID 142053160
CID 142053160
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
CID 44512575
4-tert-butyl-1-(4-tert-butylphenyl)isoquinoline
CID 167106571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole?
The IUPAC name of 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole (CID 82135048) is 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole is CC(C)(C)c1ccc(-c2ncsc2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole?
The InChIKey is NXIBMIUJOQBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-13(2,3)10-6-4-9(5-7-10)11-12(14)16-8-15-11/h4-8H,1-3H3.
What are the key properties of 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole?
5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole has a molecular weight of 296.23 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole is sourced from PubChem (CID 82135048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).