N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

C9H4BrClFN3OS — CID 80625157

IUPACN-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1nnc(Cl)s1
InChIInChI=1S/C9H4BrClFN3OS/c10-5-3-4(12)1-2-6(5)13-7(16)8-14-15-9(11)17-8/h1-3H,(H,13,16)
InChIKeyUVXQHUFIRDSYNJ-UHFFFAOYSA-N
MW336.57 g/mol
LogP3.35
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625157) has the molecular formula C9H4BrClFN3OS and a molecular weight of 336.57 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625157
Molecular FormulaC9H4BrClFN3OS
Molecular Weight336.57 g/mol
Exact Mass334.89
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1nnc(Cl)s1
InChIInChI=1S/C9H4BrClFN3OS/c10-5-3-4(12)1-2-6(5)13-7(16)8-14-15-9(11)17-8/h1-3H,(H,13,16)
InChIKeyUVXQHUFIRDSYNJ-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
5-bromo-N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938680
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
(2-bromo-4-fluorophenyl)urea
CID 28939155
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618037

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80625157) is N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(F)cc1Br)c1nnc(Cl)s1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UVXQHUFIRDSYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFN3OS/c10-5-3-4(12)1-2-6(5)13-7(16)8-14-15-9(11)17-8/h1-3H,(H,13,16).
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 336.57 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).