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

C20H17ClN4O2S2 — CID 1304932

IUPAC2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1
InChIInChI=1S/C20H17ClN4O2S2/c1-2-27-16-9-7-15(8-10-16)22-18(26)12-29-20-24-23-19-25(20)17(11-28-19)13-3-5-14(21)6-4-13/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyUVMOZFWDROFICB-UHFFFAOYSA-N
MW444.97 g/mol
LogP5.24
Rot. Bonds7

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

2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1304932) has the molecular formula C20H17ClN4O2S2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID1304932
Molecular FormulaC20H17ClN4O2S2
Molecular Weight444.97 g/mol
Exact Mass444.05
IUPAC Name2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1
InChIInChI=1S/C20H17ClN4O2S2/c1-2-27-16-9-7-15(8-10-16)22-18(26)12-29-20-24-23-19-25(20)17(11-28-19)13-3-5-14(21)6-4-13/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyUVMOZFWDROFICB-UHFFFAOYSA-N
XLogP5.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Acetylamino-phenyl)-2-[5-(2,5-dimethoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645313
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1085106
N-(3-methoxyphenyl)-3-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]propanamide
CID 1281415
2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1281418
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 54613443
2-[5-(4-Chloro-phenyl)-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 1130201
N-(4-ethoxyphenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide
CID 1179262
2-{5-[(4-Ethoxy-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3138233
2-{[5-(4-Chlorophenyl)-[1,2,4]triazolo[3,4-B][1,3]thiazol-3-YL]sulfanyl}-N-(3-methoxyphenyl)acetamide
CID 4186484
2-{4-[(4-Chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16015303
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 46193012
N-[4-(4-chlorophenyl)-thiazol-2-yl]-N'-(2-methoxyphenyl)-[1,3,4]thiadiazole-2,5-diamine
CID 76333259

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 1304932) is 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is UVMOZFWDROFICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S2/c1-2-27-16-9-7-15(8-10-16)22-18(26)12-29-20-24-23-19-25(20)17(11-28-19)13-3-5-14(21)6-4-13/h3-11H,2,12H2,1H3,(H,22,26).
What are the key properties of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 444.97 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1304932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).