2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

C13H13BrFN3OS — CID 18198071

IUPAC2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(F)cc2Br)s1
InChIInChI=1S/C13H13BrFN3OS/c1-2-3-4-11-17-18-13(20-11)16-12(19)9-6-5-8(15)7-10(9)14/h5-7H,2-4H2,1H3,(H,16,18,19)
InChIKeyKMQDEZMNPQJLAQ-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.03
Rot. Bonds5

About 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (PubChem CID 18198071) has the molecular formula C13H13BrFN3OS and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
PubChem CID18198071
Molecular FormulaC13H13BrFN3OS
Molecular Weight358.24 g/mol
Exact Mass356.99
IUPAC Name2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(F)cc2Br)s1
InChIInChI=1S/C13H13BrFN3OS/c1-2-3-4-11-17-18-13(20-11)16-12(19)9-6-5-8(15)7-10(9)14/h5-7H,2-4H2,1H3,(H,16,18,19)
InChIKeyKMQDEZMNPQJLAQ-UHFFFAOYSA-N
XLogP4.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
CID 26197074
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (CID 18198071) is 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is CCCCc1nnc(NC(=O)c2ccc(F)cc2Br)s1.
What is the InChIKey of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The InChIKey is KMQDEZMNPQJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3OS/c1-2-3-4-11-17-18-13(20-11)16-12(19)9-6-5-8(15)7-10(9)14/h5-7H,2-4H2,1H3,(H,16,18,19).
What are the key properties of 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide has a molecular weight of 358.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 18198071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).