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

C20H17FN4O3S2 — CID 3223875

IUPAC2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccccc4F)n23)c1
InChIInChI=1S/C20H17FN4O3S2/c1-27-12-7-8-17(28-2)13(9-12)16-10-29-19-23-24-20(25(16)19)30-11-18(26)22-15-6-4-3-5-14(15)21/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyHGPIPXGHMTVKPY-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.34
Rot. Bonds7

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

2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 3223875) has the molecular formula C20H17FN4O3S2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID3223875
Molecular FormulaC20H17FN4O3S2
Molecular Weight444.51 g/mol
Exact Mass444.07
IUPAC Name2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccccc4F)n23)c1
InChIInChI=1S/C20H17FN4O3S2/c1-27-12-7-8-17(28-2)13(9-12)16-10-29-19-23-24-20(25(16)19)30-11-18(26)22-15-6-4-3-5-14(15)21/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyHGPIPXGHMTVKPY-UHFFFAOYSA-N
XLogP4.34
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1179263
N-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1160644
N-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3223840
N-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2042704
N-(2-fluorophenyl)-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43883558
N-(4-methoxy-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9422401
2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1315698
N-(2-fluorophenyl)-2-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16504326
2-[[5-(1-benzothiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 19723352
N-(2-fluorophenyl)-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43883376
N-(2,5-dimethoxyphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1072545
2-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1092782

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 3223875) is 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccccc4F)n23)c1.
What is the InChIKey of 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is HGPIPXGHMTVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S2/c1-27-12-7-8-17(28-2)13(9-12)16-10-29-19-23-24-20(25(16)19)30-11-18(26)22-15-6-4-3-5-14(15)21/h3-10H,11H2,1-2H3,(H,22,26).
What are the key properties of 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 444.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3223875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).