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

C17H17FN4OS — CID 110354299

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
SMILESO=C(NCCc1csc2ncnn12)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H17FN4OS/c18-13-5-3-12(4-6-13)15(11-1-2-11)16(23)19-8-7-14-9-24-17-20-10-21-22(14)17/h3-6,9-11,15H,1-2,7-8H2,(H,19,23)
InChIKeyBQGAPDIDVBGTLA-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.78
Rot. Bonds6

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

2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (PubChem CID 110354299) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
PubChem CID110354299
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
SMILESO=C(NCCc1csc2ncnn12)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H17FN4OS/c18-13-5-3-12(4-6-13)15(11-1-2-11)16(23)19-8-7-14-9-24-17-20-10-21-22(14)17/h3-6,9-11,15H,1-2,7-8H2,(H,19,23)
InChIKeyBQGAPDIDVBGTLA-UHFFFAOYSA-N
XLogP2.78
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110307573
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110353862
2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354295
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
2-cyclopropyl-2-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110428220
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
CID 110627630
3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110307538
3-(1,3-benzodioxol-5-yl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (CID 110354299) is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is O=C(NCCc1csc2ncnn12)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
The InChIKey is BQGAPDIDVBGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-13-5-3-12(4-6-13)15(11-1-2-11)16(23)19-8-7-14-9-24-17-20-10-21-22(14)17/h3-6,9-11,15H,1-2,7-8H2,(H,19,23).
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is sourced from PubChem (CID 110354299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).