2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C16H9BrF2N2OS — CID 8839157

IUPAC2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1Br
InChIInChI=1S/C16H9BrF2N2OS/c17-12-4-2-1-3-10(12)15(22)21-16-20-14(8-23-16)11-7-9(18)5-6-13(11)19/h1-8H,(H,20,21,22)
InChIKeyAMYDQXZKESWXOU-UHFFFAOYSA-N
MW395.23 g/mol
LogP5.10
Rot. Bonds3

About 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8839157) has the molecular formula C16H9BrF2N2OS and a molecular weight of 395.23 g/mol. Its IUPAC name is 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8839157
Molecular FormulaC16H9BrF2N2OS
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1Br
InChIInChI=1S/C16H9BrF2N2OS/c17-12-4-2-1-3-10(12)15(22)21-16-20-14(8-23-16)11-7-9(18)5-6-13(11)19/h1-8H,(H,20,21,22)
InChIKeyAMYDQXZKESWXOU-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 134030412
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26207842
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3950019
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31772694

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 8839157) is 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AMYDQXZKESWXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2OS/c17-12-4-2-1-3-10(12)15(22)21-16-20-14(8-23-16)11-7-9(18)5-6-13(11)19/h1-8H,(H,20,21,22).
What are the key properties of 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 395.23 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8839157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).