N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C20H15FN4O3S — CID 7216193

IUPACN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H15FN4O3S/c21-14-4-1-12(2-5-14)18-23-20-25(24-18)15(10-29-20)7-8-22-19(26)13-3-6-16-17(9-13)28-11-27-16/h1-6,9-10H,7-8,11H2,(H,22,26)
InChIKeyCNLPFCMCUKUEPA-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.30
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7216193) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7216193
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H15FN4O3S/c21-14-4-1-12(2-5-14)18-23-20-25(24-18)15(10-29-20)7-8-22-19(26)13-3-6-16-17(9-13)28-11-27-16/h1-6,9-10H,7-8,11H2,(H,22,26)
InChIKeyCNLPFCMCUKUEPA-UHFFFAOYSA-N
XLogP3.30
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
N'-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965935
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 5303571
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110285051
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564699

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]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 7216193) is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CNLPFCMCUKUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-14-4-1-12(2-5-14)18-23-20-25(24-18)15(10-29-20)7-8-22-19(26)13-3-6-16-17(9-13)28-11-27-16/h1-6,9-10H,7-8,11H2,(H,22,26).
What are the key properties of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7216193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).