N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide

C20H15FN4O2S2 — CID 3223781

IUPACN-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccc(F)cc4)n23)cc1
InChIInChI=1S/C20H15FN4O2S2/c1-12(26)22-16-8-4-14(5-9-16)18(27)11-29-20-24-23-19-25(20)17(10-28-19)13-2-6-15(21)7-3-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyUWRQCVNWRAJTFN-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.53
Rot. Bonds6

About N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide

N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide (PubChem CID 3223781) has the molecular formula C20H15FN4O2S2 and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
PubChem CID3223781
Molecular FormulaC20H15FN4O2S2
Molecular Weight426.50 g/mol
Exact Mass426.06
IUPAC NameN-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccc(F)cc4)n23)cc1
InChIInChI=1S/C20H15FN4O2S2/c1-12(26)22-16-8-4-14(5-9-16)18(27)11-29-20-24-23-19-25(20)17(10-28-19)13-2-6-15(21)7-3-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyUWRQCVNWRAJTFN-UHFFFAOYSA-N
XLogP4.53
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide (CID 3223781) is N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccc(F)cc4)n23)cc1.
What is the InChIKey of N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is UWRQCVNWRAJTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S2/c1-12(26)22-16-8-4-14(5-9-16)18(27)11-29-20-24-23-19-25(20)17(10-28-19)13-2-6-15(21)7-3-13/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 3223781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).