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

C13H11FN4OS — CID 108728321

IUPACN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2scc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C13H11FN4OS/c1-2-11(19)15-12-16-13-18(17-12)10(7-20-13)8-3-5-9(14)6-4-8/h3-7H,2H2,1H3,(H,15,17,19)
InChIKeySXAZTMVPUCUZOL-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.95
Rot. Bonds3

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

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide (PubChem CID 108728321) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
PubChem CID108728321
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2scc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C13H11FN4OS/c1-2-11(19)15-12-16-13-18(17-12)10(7-20-13)8-3-5-9(14)6-4-8/h3-7H,2H2,1H3,(H,15,17,19)
InChIKeySXAZTMVPUCUZOL-UHFFFAOYSA-N
XLogP2.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
N'-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-N-(4-fluorophenyl)butanediamide
CID 108752985
2-(2-ethylphenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728300
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 108811234
2-(3,5-dimethylphenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728379
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenoxybutanamide
CID 108752294
2-chloroethyl N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
CID 108728333
3,4,5-triethoxy-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752208
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752306
2-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728076
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide
CID 108752199

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide?
The IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide (CID 108728321) is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide is CCC(=O)Nc1nc2scc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide?
The InChIKey is SXAZTMVPUCUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-2-11(19)15-12-16-13-18(17-12)10(7-20-13)8-3-5-9(14)6-4-8/h3-7H,2H2,1H3,(H,15,17,19).
What are the key properties of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide?
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide has a molecular weight of 290.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide is sourced from PubChem (CID 108728321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).