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

C19H14F2N4OS — CID 7216157

IUPAC2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1F
InChIInChI=1S/C19H14F2N4OS/c20-13-7-5-12(6-8-13)17-23-19-25(24-17)14(11-27-19)9-10-22-18(26)15-3-1-2-4-16(15)21/h1-8,11H,9-10H2,(H,22,26)
InChIKeyYANYJBGWZFHXIW-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.71
Rot. Bonds5

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

2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (PubChem CID 7216157) has the molecular formula C19H14F2N4OS and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
PubChem CID7216157
Molecular FormulaC19H14F2N4OS
Molecular Weight384.41 g/mol
Exact Mass384.09
IUPAC Name2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1F
InChIInChI=1S/C19H14F2N4OS/c20-13-7-5-12(6-8-13)17-23-19-25(24-17)14(11-27-19)9-10-22-18(26)15-3-1-2-4-16(15)21/h1-8,11H,9-10H2,(H,22,26)
InChIKeyYANYJBGWZFHXIW-UHFFFAOYSA-N
XLogP3.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7216193
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide
CID 7243426
2-(4-ethoxyphenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564677
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide
CID 22584384
N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564699
N'-(3-chloro-2-methylphenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564748

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (CID 7216157) is 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The InChIKey is YANYJBGWZFHXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS/c20-13-7-5-12(6-8-13)17-23-19-25(24-17)14(11-27-19)9-10-22-18(26)15-3-1-2-4-16(15)21/h1-8,11H,9-10H2,(H,22,26).
What are the key properties of 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide has a molecular weight of 384.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is sourced from PubChem (CID 7216157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).