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

C20H16ClFN4OS — CID 7243427

IUPACN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C20H16ClFN4OS/c21-15-5-3-14(4-6-15)19-24-20-26(25-19)17(12-28-20)9-10-23-18(27)11-13-1-7-16(22)8-2-13/h1-8,12H,9-11H2,(H,23,27)
InChIKeyFHLHIEBVMMKMSS-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.15
Rot. Bonds6

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

N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 7243427) has the molecular formula C20H16ClFN4OS and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID7243427
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC NameN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C20H16ClFN4OS/c21-15-5-3-14(4-6-15)19-24-20-26(25-19)17(12-28-20)9-10-23-18(27)11-13-1-7-16(22)8-2-13/h1-8,12H,9-11H2,(H,23,27)
InChIKeyFHLHIEBVMMKMSS-UHFFFAOYSA-N
XLogP4.15
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide (CID 7243427) is N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FHLHIEBVMMKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c21-15-5-3-14(4-6-15)19-24-20-26(25-19)17(12-28-20)9-10-23-18(27)11-13-1-7-16(22)8-2-13/h1-8,12H,9-11H2,(H,23,27).
What are the key properties of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 414.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7243427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).