N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide

C12H9BrFN3O2S — CID 18139574

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(Br)cc2F)n1
InChIInChI=1S/C12H9BrFN3O2S/c13-6-1-2-8(9(14)3-6)11(19)17-12-16-7(5-20-12)4-10(15)18/h1-3,5H,4H2,(H2,15,18)(H,16,17,19)
InChIKeyXGLZGFWWTBFTOK-UHFFFAOYSA-N
MW358.19 g/mol
LogP2.32
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide (PubChem CID 18139574) has the molecular formula C12H9BrFN3O2S and a molecular weight of 358.19 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
PubChem CID18139574
Molecular FormulaC12H9BrFN3O2S
Molecular Weight358.19 g/mol
Exact Mass356.96
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(Br)cc2F)n1
InChIInChI=1S/C12H9BrFN3O2S/c13-6-1-2-8(9(14)3-6)11(19)17-12-16-7(5-20-12)4-10(15)18/h1-3,5H,4H2,(H2,15,18)(H,16,17,19)
InChIKeyXGLZGFWWTBFTOK-UHFFFAOYSA-N
XLogP2.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704203
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
4-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 43630014
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
CID 29289656

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide (CID 18139574) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide is NC(=O)Cc1csc(NC(=O)c2ccc(Br)cc2F)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide?
The InChIKey is XGLZGFWWTBFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2S/c13-6-1-2-8(9(14)3-6)11(19)17-12-16-7(5-20-12)4-10(15)18/h1-3,5H,4H2,(H2,15,18)(H,16,17,19).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide has a molecular weight of 358.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide is sourced from PubChem (CID 18139574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).