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

C22H15BrFN3OS — CID 3950019

IUPAC2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1)c1ccccc1Br
InChIInChI=1S/C22H15BrFN3OS/c23-19-10-2-1-9-18(19)21(28)25-16-7-3-5-14(11-16)20-13-29-22(27-20)26-17-8-4-6-15(24)12-17/h1-13H,(H,25,28)(H,26,27)
InChIKeyOIKZPMYAROFFJZ-UHFFFAOYSA-N
MW468.35 g/mol
LogP6.71
Rot. Bonds5

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

2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3950019) has the molecular formula C22H15BrFN3OS and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3950019
Molecular FormulaC22H15BrFN3OS
Molecular Weight468.35 g/mol
Exact Mass467.01
IUPAC Name2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1)c1ccccc1Br
InChIInChI=1S/C22H15BrFN3OS/c23-19-10-2-1-9-18(19)21(28)25-16-7-3-5-14(11-16)20-13-29-22(27-20)26-17-8-4-6-15(24)12-17/h1-13H,(H,25,28)(H,26,27)
InChIKeyOIKZPMYAROFFJZ-UHFFFAOYSA-N
XLogP6.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4034400
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3950019) is 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is OIKZPMYAROFFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrFN3OS/c23-19-10-2-1-9-18(19)21(28)25-16-7-3-5-14(11-16)20-13-29-22(27-20)26-17-8-4-6-15(24)12-17/h1-13H,(H,25,28)(H,26,27).
What are the key properties of 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 468.35 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3950019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).