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

C12H9BrF3NS — CID 79594166

IUPAC4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCc1sc(CC(F)(F)F)nc1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrF3NS/c1-7-11(8-2-4-9(13)5-3-8)17-10(18-7)6-12(14,15)16/h2-5H,6H2,1H3
InChIKeyIOKZMBCKFRXMEP-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.99
Rot. Bonds2

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

4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 79594166) has the molecular formula C12H9BrF3NS and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID79594166
Molecular FormulaC12H9BrF3NS
Molecular Weight336.18 g/mol
Exact Mass334.96
IUPAC Name4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCc1sc(CC(F)(F)F)nc1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrF3NS/c1-7-11(8-2-4-9(13)5-3-8)17-10(18-7)6-12(14,15)16/h2-5H,6H2,1H3
InChIKeyIOKZMBCKFRXMEP-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Bromophenyl)-4-phenyl-1,3-thiazole
CID 71456084
4-(4-Bromophenyl)-2-thiazoleacetonitrile
CID 2790620
1-[2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 537858
2-(4-Bromo-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71450756
5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
CID 2783006
2-Chloro-4-(4-bromophenyl)thiazole
CID 12698563
4-(4-Bromo-phenyl)-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-thiazole
CID 12005554
Thiazole, 4,5-diphenyl-2-(trifluoromethyl)-
CID 13015386
4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole
CID 155674112
4-Methyl-2,5-diphenyl-1,3-thiazole
CID 8962252
2-Amino-4-(4-bromophenyl)-5-methylthiazole
CID 716980
5-Bromomethyl-4-methyl-2-phenyl-thiazole
CID 2795493

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 79594166) is 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole is Cc1sc(CC(F)(F)F)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is IOKZMBCKFRXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NS/c1-7-11(8-2-4-9(13)5-3-8)17-10(18-7)6-12(14,15)16/h2-5H,6H2,1H3.
What are the key properties of 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 336.18 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 79594166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).