4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide

C13H11FN4OS — CID 110726992

IUPAC4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1csc2nncn12)c1ccc(F)cc1
InChIInChI=1S/C13H11FN4OS/c14-10-3-1-9(2-4-10)12(19)15-6-5-11-7-20-13-17-16-8-18(11)13/h1-4,7-8H,5-6H2,(H,15,19)
InChIKeyLXTXLYKEJZQFTQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.90
Rot. Bonds4

About 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide

4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide (PubChem CID 110726992) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
PubChem CID110726992
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1csc2nncn12)c1ccc(F)cc1
InChIInChI=1S/C13H11FN4OS/c14-10-3-1-9(2-4-10)12(19)15-6-5-11-7-20-13-17-16-8-18(11)13/h1-4,7-8H,5-6H2,(H,15,19)
InChIKeyLXTXLYKEJZQFTQ-UHFFFAOYSA-N
XLogP1.90
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
CID 110727017
1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide
CID 110727083
1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea
CID 110748474
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
2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide
CID 110727010
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
CID 110727031
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
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
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide (CID 110726992) is 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide is O=C(NCCc1csc2nncn12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
The InChIKey is LXTXLYKEJZQFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c14-10-3-1-9(2-4-10)12(19)15-6-5-11-7-20-13-17-16-8-18(11)13/h1-4,7-8H,5-6H2,(H,15,19).
What are the key properties of 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide has a molecular weight of 290.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110726992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).