N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide

C21H20N4O2S2 — CID 3223836

IUPACN-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc2scc(-c3cccc(OC)c3)n12)c1ccccc1
InChIInChI=1S/C21H20N4O2S2/c1-3-24(16-9-5-4-6-10-16)19(26)14-29-21-23-22-20-25(21)18(13-28-20)15-8-7-11-17(12-15)27-2/h4-13H,3,14H2,1-2H3
InChIKeyXDTXIMRHZPVVNI-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.61
Rot. Bonds7

About N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide

N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 3223836) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID3223836
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC NameN-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc2scc(-c3cccc(OC)c3)n12)c1ccccc1
InChIInChI=1S/C21H20N4O2S2/c1-3-24(16-9-5-4-6-10-16)19(26)14-29-21-23-22-20-25(21)18(13-28-20)15-8-7-11-17(12-15)27-2/h4-13H,3,14H2,1-2H3
InChIKeyXDTXIMRHZPVVNI-UHFFFAOYSA-N
XLogP4.61
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 3223836) is N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide is CCN(C(=O)CSc1nnc2scc(-c3cccc(OC)c3)n12)c1ccccc1.
What is the InChIKey of N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is XDTXIMRHZPVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-3-24(16-9-5-4-6-10-16)19(26)14-29-21-23-22-20-25(21)18(13-28-20)15-8-7-11-17(12-15)27-2/h4-13H,3,14H2,1-2H3.
What are the key properties of N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide?
N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 424.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 3223836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).