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

C23H23FN4OS — CID 7216743

IUPAC4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1
InChIInChI=1S/C23H23FN4OS/c1-23(2,3)16-10-8-15(9-11-16)21(29)25-13-12-17-14-30-22-26-20(27-28(17)22)18-6-4-5-7-19(18)24/h4-11,14H,12-13H2,1-3H3,(H,25,29)
InChIKeyUNYXJIWJAMTVIM-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.87
Rot. Bonds5

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

4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (PubChem CID 7216743) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
PubChem CID7216743
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC Name4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1
InChIInChI=1S/C23H23FN4OS/c1-23(2,3)16-10-8-15(9-11-16)21(29)25-13-12-17-14-30-22-26-20(27-28(17)22)18-6-4-5-7-19(18)24/h4-11,14H,12-13H2,1-3H3,(H,25,29)
InChIKeyUNYXJIWJAMTVIM-UHFFFAOYSA-N
XLogP4.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide (CID 7216743) is 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
The InChIKey is UNYXJIWJAMTVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c1-23(2,3)16-10-8-15(9-11-16)21(29)25-13-12-17-14-30-22-26-20(27-28(17)22)18-6-4-5-7-19(18)24/h4-11,14H,12-13H2,1-3H3,(H,25,29).
What are the key properties of 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide?
4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide is sourced from PubChem (CID 7216743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).