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

C19H15FN4OS2 — CID 75281546

IUPACN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCc1csc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C19H15FN4OS2/c20-14-4-1-3-13(11-14)18-22-19-24(23-18)15(12-27-19)8-9-21-17(25)7-6-16-5-2-10-26-16/h1-7,10-12H,8-9H2,(H,21,25)
InChIKeyKHLSEZYDYKEUPJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.03
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 75281546) has the molecular formula C19H15FN4OS2 and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID75281546
Molecular FormulaC19H15FN4OS2
Molecular Weight398.49 g/mol
Exact Mass398.07
IUPAC NameN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCc1csc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C19H15FN4OS2/c20-14-4-1-3-13(11-14)18-22-19-24(23-18)15(12-27-19)8-9-21-17(25)7-6-16-5-2-10-26-16/h1-7,10-12H,8-9H2,(H,21,25)
InChIKeyKHLSEZYDYKEUPJ-UHFFFAOYSA-N
XLogP4.03
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]pentanamide
CID 7531049
[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate
CID 7531111
N'-(4-chlorophenyl)-N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 27548697
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
3,4,5-triethoxy-N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 44976750
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
CID 18564770
3-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]prop-2-enamide
CID 75281539
N'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
N'-(4-ethylphenyl)-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564808
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 75281546) is N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCCc1csc2nc(-c3cccc(F)c3)nn12.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KHLSEZYDYKEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS2/c20-14-4-1-3-13(11-14)18-22-19-24(23-18)15(12-27-19)8-9-21-17(25)7-6-16-5-2-10-26-16/h1-7,10-12H,8-9H2,(H,21,25).
What are the key properties of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 398.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 75281546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).