4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide

C21H14BrN3OS — CID 108748532

IUPAC4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3OS/c22-16-9-7-14(8-10-16)20(26)24-17-5-3-4-15(12-17)19-13-27-21(25-19)18-6-1-2-11-23-18/h1-13H,(H,24,26)
InChIKeyMGOXVDUOPRMMBW-UHFFFAOYSA-N
MW436.33 g/mol
LogP5.89
Rot. Bonds4

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

4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108748532) has the molecular formula C21H14BrN3OS and a molecular weight of 436.33 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108748532
Molecular FormulaC21H14BrN3OS
Molecular Weight436.33 g/mol
Exact Mass435.00
IUPAC Name4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3OS/c22-16-9-7-14(8-10-16)20(26)24-17-5-3-4-15(12-17)19-13-27-21(25-19)18-6-1-2-11-23-18/h1-13H,(H,24,26)
InChIKeyMGOXVDUOPRMMBW-UHFFFAOYSA-N
XLogP5.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.33
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
3-nitro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 108748413
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 22993961

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108748532) is 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is MGOXVDUOPRMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3OS/c22-16-9-7-14(8-10-16)20(26)24-17-5-3-4-15(12-17)19-13-27-21(25-19)18-6-1-2-11-23-18/h1-13H,(H,24,26).
What are the key properties of 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 436.33 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108748532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).