5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C10H4BrClF3N3OS — CID 2225350

IUPAC5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H4BrClF3N3OS/c11-4-1-2-6(12)5(3-4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19)
InChIKeyZKCQKRSZYIGASW-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.23
Rot. Bonds2

About 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 2225350) has the molecular formula C10H4BrClF3N3OS and a molecular weight of 386.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID2225350
Molecular FormulaC10H4BrClF3N3OS
Molecular Weight386.58 g/mol
Exact Mass384.89
IUPAC Name5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H4BrClF3N3OS/c11-4-1-2-6(12)5(3-4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19)
InChIKeyZKCQKRSZYIGASW-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
1-(3-bromophenyl)-2,5-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrole-3-carboxamide
CID 52725726
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
5-bromo-2-chloro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 16549522
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide
CID 43860319
5-bromo-2-chloro-N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100537532
5-bromo-2-chloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4142059
4-bromo-3,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783115
4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 6467691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 2225350) is 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZKCQKRSZYIGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF3N3OS/c11-4-1-2-6(12)5(3-4)7(19)16-9-18-17-8(20-9)10(13,14)15/h1-3H,(H,16,18,19).
What are the key properties of 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 386.58 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 2225350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).