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

C20H16ClFN4OS — CID 7530988

IUPAC2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C20H16ClFN4OS/c21-14-7-5-13(6-8-14)11-18(27)23-10-9-15-12-28-20-24-19(25-26(15)20)16-3-1-2-4-17(16)22/h1-8,12H,9-11H2,(H,23,27)
InChIKeyGYTLZLTUVOQPLB-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.15
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide (PubChem CID 7530988) has the molecular formula C20H16ClFN4OS and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
PubChem CID7530988
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC Name2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C20H16ClFN4OS/c21-14-7-5-13(6-8-14)11-18(27)23-10-9-15-12-28-20-24-19(25-26(15)20)16-3-1-2-4-17(16)22/h1-8,12H,9-11H2,(H,23,27)
InChIKeyGYTLZLTUVOQPLB-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 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide (CID 7530988) is 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccccc3F)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
The InChIKey is GYTLZLTUVOQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c21-14-7-5-13(6-8-14)11-18(27)23-10-9-15-12-28-20-24-19(25-26(15)20)16-3-1-2-4-17(16)22/h1-8,12H,9-11H2,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]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 2-(4-chlorophenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 7530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).