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

C17H19FN4OS — CID 7243431

IUPACN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C17H19FN4OS/c1-17(2,3)15(23)19-9-8-13-10-24-16-20-14(21-22(13)16)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23)
InChIKeyFUGABQZWWDUMMK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.30
Rot. Bonds4

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

N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 7243431) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID7243431
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C17H19FN4OS/c1-17(2,3)15(23)19-9-8-13-10-24-16-20-14(21-22(13)16)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23)
InChIKeyFUGABQZWWDUMMK-UHFFFAOYSA-N
XLogP3.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide (CID 7243431) is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is FUGABQZWWDUMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-17(2,3)15(23)19-9-8-13-10-24-16-20-14(21-22(13)16)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 7243431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).