3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide

C17H10BrFN4OS — CID 108752211

IUPAC3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
SMILESO=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1cccc(Br)c1
InChIInChI=1S/C17H10BrFN4OS/c18-12-3-1-2-11(8-12)15(24)20-16-21-17-23(22-16)14(9-25-17)10-4-6-13(19)7-5-10/h1-9H,(H,20,22,24)
InChIKeyASACNEINNLZGDQ-UHFFFAOYSA-N
MW417.26 g/mol
LogP4.61
Rot. Bonds3

About 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide

3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (PubChem CID 108752211) has the molecular formula C17H10BrFN4OS and a molecular weight of 417.26 g/mol. Its IUPAC name is 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
PubChem CID108752211
Molecular FormulaC17H10BrFN4OS
Molecular Weight417.26 g/mol
Exact Mass415.97
IUPAC Name3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
SMILESO=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1cccc(Br)c1
InChIInChI=1S/C17H10BrFN4OS/c18-12-3-1-2-11(8-12)15(24)20-16-21-17-23(22-16)14(9-25-17)10-4-6-13(19)7-5-10/h1-9H,(H,20,22,24)
InChIKeyASACNEINNLZGDQ-UHFFFAOYSA-N
XLogP4.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]benzoate
CID 108728393
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethoxybenzamide
CID 108752185
3-acetamido-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752032
3,4,5-triethoxy-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752208
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
CID 108729163
3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108751894
3,4-difluoro-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108808676
3-cyano-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108808710
2-(4-fluorophenyl)-4-methyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-thiazole-5-carboxamide
CID 108810407

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide (CID 108752211) is 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is O=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
The InChIKey is ASACNEINNLZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4OS/c18-12-3-1-2-11(8-12)15(24)20-16-21-17-23(22-16)14(9-25-17)10-4-6-13(19)7-5-10/h1-9H,(H,20,22,24).
What are the key properties of 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide?
3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide has a molecular weight of 417.26 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide is sourced from PubChem (CID 108752211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).