5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C13H13BrFN3OS — CID 62814924

IUPAC5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cc(N)c(F)cc2Br)n1
InChIInChI=1S/C13H13BrFN3OS/c1-6(2)11-5-20-13(17-11)18-12(19)7-3-10(16)9(15)4-8(7)14/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyOQLVFOKEJUIOPM-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.00
Rot. Bonds3

About 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 62814924) has the molecular formula C13H13BrFN3OS and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID62814924
Molecular FormulaC13H13BrFN3OS
Molecular Weight358.24 g/mol
Exact Mass356.99
IUPAC Name5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cc(N)c(F)cc2Br)n1
InChIInChI=1S/C13H13BrFN3OS/c1-6(2)11-5-20-13(17-11)18-12(19)7-3-10(16)9(15)4-8(7)14/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyOQLVFOKEJUIOPM-UHFFFAOYSA-N
XLogP4.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62815928
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
5-amino-2-bromo-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55118101
5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
CID 62815438

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 62814924) is 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1csc(NC(=O)c2cc(N)c(F)cc2Br)n1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OQLVFOKEJUIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3OS/c1-6(2)11-5-20-13(17-11)18-12(19)7-3-10(16)9(15)4-8(7)14/h3-6H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 358.24 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 62814924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).