2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide

C10H5Br2ClN2OS — CID 107987897

IUPAC2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H5Br2ClN2OS/c11-7-3-5(13)1-2-6(7)9(16)15-10-14-4-8(12)17-10/h1-4H,(H,14,15,16)
InChIKeyXDECRGSVZZQORW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.57
Rot. Bonds2

About 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide

2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide (PubChem CID 107987897) has the molecular formula C10H5Br2ClN2OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
PubChem CID107987897
Molecular FormulaC10H5Br2ClN2OS
Molecular Weight396.49 g/mol
Exact Mass393.82
IUPAC Name2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H5Br2ClN2OS/c11-7-3-5(13)1-2-6(7)9(16)15-10-14-4-8(12)17-10/h1-4H,(H,14,15,16)
InChIKeyXDECRGSVZZQORW-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-chlorophenyl] acetate
CID 53309837
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653631
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
CID 87181448
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091
N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 130821730
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide (CID 107987897) is 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide is O=C(Nc1ncc(Br)s1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide?
The InChIKey is XDECRGSVZZQORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClN2OS/c11-7-3-5(13)1-2-6(7)9(16)15-10-14-4-8(12)17-10/h1-4H,(H,14,15,16).
What are the key properties of 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide?
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide has a molecular weight of 396.49 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 107987897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).