2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide

C12H8BrF3N2O2S — CID 87665224

IUPAC2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H8BrF3N2O2S/c13-5-10(19)18-11-17-9(6-21-11)7-1-3-8(4-2-7)20-12(14,15)16/h1-4,6H,5H2,(H,17,18,19)
InChIKeyXIGWAOOKTUIPHC-UHFFFAOYSA-N
MW381.17 g/mol
LogP4.04
Rot. Bonds4

About 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide

2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87665224) has the molecular formula C12H8BrF3N2O2S and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87665224
Molecular FormulaC12H8BrF3N2O2S
Molecular Weight381.17 g/mol
Exact Mass379.94
IUPAC Name2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H8BrF3N2O2S/c13-5-10(19)18-11-17-9(6-21-11)7-1-3-8(4-2-7)20-12(14,15)16/h1-4,6H,5H2,(H,17,18,19)
InChIKeyXIGWAOOKTUIPHC-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-sulfanyl-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]heptanamide
CID 90681247
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55757969
2-bromo-N-[4-(4-but-1-ynylphenyl)-1,3-thiazol-2-yl]acetamide
CID 89120047
2-bromo-N-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86662193
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 2498919
2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
CID 50989248
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 87665224) is 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is O=C(CBr)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XIGWAOOKTUIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O2S/c13-5-10(19)18-11-17-9(6-21-11)7-1-3-8(4-2-7)20-12(14,15)16/h1-4,6H,5H2,(H,17,18,19).
What are the key properties of 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 381.17 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87665224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).