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

C15H15FN4OS — CID 110627635

IUPAC3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1F)NCCc1csc2ncnn12
InChIInChI=1S/C15H15FN4OS/c16-13-4-2-1-3-11(13)5-6-14(21)17-8-7-12-9-22-15-18-10-19-20(12)15/h1-4,9-10H,5-8H2,(H,17,21)
InChIKeyPOLHTFKLZJTRHZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.22
Rot. Bonds6

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

3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (PubChem CID 110627635) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
PubChem CID110627635
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1F)NCCc1csc2ncnn12
InChIInChI=1S/C15H15FN4OS/c16-13-4-2-1-3-11(13)5-6-14(21)17-8-7-12-9-22-15-18-10-19-20(12)15/h1-4,9-10H,5-8H2,(H,17,21)
InChIKeyPOLHTFKLZJTRHZ-UHFFFAOYSA-N
XLogP2.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110307538
N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide
CID 110307611
3-(1,3-benzodioxol-5-yl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110627728
2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354295
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (CID 110627635) is 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is O=C(CCc1ccccc1F)NCCc1csc2ncnn12.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The InChIKey is POLHTFKLZJTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c16-13-4-2-1-3-11(13)5-6-14(21)17-8-7-12-9-22-15-18-10-19-20(12)15/h1-4,9-10H,5-8H2,(H,17,21).
What are the key properties of 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110627635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).