2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole

C12H11BrFNS — CID 114908199

IUPAC2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2ccc(Br)cc2F)s1
InChIInChI=1S/C12H11BrFNS/c1-7(2)11-6-15-12(16-11)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3
InChIKeyORVBUNMMVSUPQL-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.84
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole

2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 114908199) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
PubChem CID114908199
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2ccc(Br)cc2F)s1
InChIInChI=1S/C12H11BrFNS/c1-7(2)11-6-15-12(16-11)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3
InChIKeyORVBUNMMVSUPQL-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 62689326
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902
4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889710
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 107931868
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole (CID 114908199) is 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(-c2ccc(Br)cc2F)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is ORVBUNMMVSUPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c1-7(2)11-6-15-12(16-11)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole?
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 300.20 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 114908199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).