2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide

C11H8BrF2N3OS — CID 55119831

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
SMILESNc1nc(CC(=O)Nc2c(F)cc(F)cc2Br)cs1
InChIInChI=1S/C11H8BrF2N3OS/c12-7-1-5(13)2-8(14)10(7)17-9(18)3-6-4-19-11(15)16-6/h1-2,4H,3H2,(H2,15,16)(H,17,18)
InChIKeyLLSIHKCNEVSNRC-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide (PubChem CID 55119831) has the molecular formula C11H8BrF2N3OS and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
PubChem CID55119831
Molecular FormulaC11H8BrF2N3OS
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
SMILESNc1nc(CC(=O)Nc2c(F)cc(F)cc2Br)cs1
InChIInChI=1S/C11H8BrF2N3OS/c12-7-1-5(13)2-8(14)10(7)17-9(18)3-6-4-19-11(15)16-6/h1-2,4H,3H2,(H2,15,16)(H,17,18)
InChIKeyLLSIHKCNEVSNRC-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107574425
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723693
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide
CID 62799631
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide (CID 55119831) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide is Nc1nc(CC(=O)Nc2c(F)cc(F)cc2Br)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide?
The InChIKey is LLSIHKCNEVSNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3OS/c12-7-1-5(13)2-8(14)10(7)17-9(18)3-6-4-19-11(15)16-6/h1-2,4H,3H2,(H2,15,16)(H,17,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide has a molecular weight of 348.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide is sourced from PubChem (CID 55119831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).