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

C10H5BrClFN2OS — CID 60654719

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C10H5BrClFN2OS/c11-8-4-14-10(17-8)15-9(16)6-2-1-5(13)3-7(6)12/h1-4H,(H,14,15,16)
InChIKeyVEFCDRFAZJVMEM-UHFFFAOYSA-N
MW335.59 g/mol
LogP3.95
Rot. Bonds2

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

N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide (PubChem CID 60654719) has the molecular formula C10H5BrClFN2OS and a molecular weight of 335.59 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide
PubChem CID60654719
Molecular FormulaC10H5BrClFN2OS
Molecular Weight335.59 g/mol
Exact Mass333.90
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C10H5BrClFN2OS/c11-8-4-14-10(17-8)15-9(16)6-2-1-5(13)3-7(6)12/h1-4H,(H,14,15,16)
InChIKeyVEFCDRFAZJVMEM-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide (CID 60654719) is N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide is O=C(Nc1ncc(Br)s1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide?
The InChIKey is VEFCDRFAZJVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2OS/c11-8-4-14-10(17-8)15-9(16)6-2-1-5(13)3-7(6)12/h1-4H,(H,14,15,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide has a molecular weight of 335.59 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 60654719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).