N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C18H16BrFN2OS2 — CID 55594558

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C18H16BrFN2OS2/c1-2-22(10-12-8-13(19)5-6-15(12)20)17(23)9-14-11-25-18(21-14)16-4-3-7-24-16/h3-8,11H,2,9-10H2,1H3
InChIKeyIRIIOHIPUHCKBU-UHFFFAOYSA-N
MW439.38 g/mol
LogP5.36
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55594558) has the molecular formula C18H16BrFN2OS2 and a molecular weight of 439.38 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55594558
Molecular FormulaC18H16BrFN2OS2
Molecular Weight439.38 g/mol
Exact Mass437.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C18H16BrFN2OS2/c1-2-22(10-12-8-13(19)5-6-15(12)20)17(23)9-14-11-25-18(21-14)16-4-3-7-24-16/h3-8,11H,2,9-10H2,1H3
InChIKeyIRIIOHIPUHCKBU-UHFFFAOYSA-N
XLogP5.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 115771558
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46511782
N-(cyclopropylmethyl)-N-propyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134015302
N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86997240
2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119205677
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563221
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55579560
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55557175

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 55594558) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IRIIOHIPUHCKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2OS2/c1-2-22(10-12-8-13(19)5-6-15(12)20)17(23)9-14-11-25-18(21-14)16-4-3-7-24-16/h3-8,11H,2,9-10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 439.38 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55594558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).