4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole

C11H8BrF2NS — CID 83971235

IUPAC4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(CCBr)cs1
InChIInChI=1S/C11H8BrF2NS/c12-5-4-7-6-16-11(15-7)10-8(13)2-1-3-9(10)14/h1-3,6H,4-5H2
InChIKeyWABLLUMJJQTRNQ-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.03
Rot. Bonds3

About 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole

4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole (PubChem CID 83971235) has the molecular formula C11H8BrF2NS and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
PubChem CID83971235
Molecular FormulaC11H8BrF2NS
Molecular Weight304.16 g/mol
Exact Mass302.95
IUPAC Name4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(CCBr)cs1
InChIInChI=1S/C11H8BrF2NS/c12-5-4-7-6-16-11(15-7)10-8(13)2-1-3-9(10)14/h1-3,6H,4-5H2
InChIKeyWABLLUMJJQTRNQ-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 93213722
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
2-(2,6-difluorophenyl)-4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazole
CID 46083256
4-chloro-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83158211
2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 46083243
3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485544
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
methyl 3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039730
3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
CID 102943421
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole (CID 83971235) is 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole is Fc1cccc(F)c1-c1nc(CCBr)cs1.
What is the InChIKey of 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole?
The InChIKey is WABLLUMJJQTRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NS/c12-5-4-7-6-16-11(15-7)10-8(13)2-1-3-9(10)14/h1-3,6H,4-5H2.
What are the key properties of 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole?
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole has a molecular weight of 304.16 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 83971235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).