N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide

C23H23ClN4O4S — CID 108752346

IUPACN-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3scc(-c4ccc(Cl)cc4)n3n2)cc(OCC)c1OCC
InChIInChI=1S/C23H23ClN4O4S/c1-4-30-18-11-15(12-19(31-5-2)20(18)32-6-3)21(29)25-22-26-23-28(27-22)17(13-33-23)14-7-9-16(24)10-8-14/h7-13H,4-6H2,1-3H3,(H,25,27,29)
InChIKeyNHZFTNBGGOVHIU-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.56
Rot. Bonds9

About N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide

N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide (PubChem CID 108752346) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide
PubChem CID108752346
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3scc(-c4ccc(Cl)cc4)n3n2)cc(OCC)c1OCC
InChIInChI=1S/C23H23ClN4O4S/c1-4-30-18-11-15(12-19(31-5-2)20(18)32-6-3)21(29)25-22-26-23-28(27-22)17(13-33-23)14-7-9-16(24)10-8-14/h7-13H,4-6H2,1-3H3,(H,25,27,29)
InChIKeyNHZFTNBGGOVHIU-UHFFFAOYSA-N
XLogP5.56
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-triethoxy-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752208
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108728536
4-tert-butyl-N-[2-[[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108752352
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethoxybenzamide
CID 108752185
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108728014
5-chloro-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752239
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728432
4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108763069
4-(4-chlorophenoxy)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108752923

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide (CID 108752346) is N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2nc3scc(-c4ccc(Cl)cc4)n3n2)cc(OCC)c1OCC.
What is the InChIKey of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide?
The InChIKey is NHZFTNBGGOVHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c1-4-30-18-11-15(12-19(31-5-2)20(18)32-6-3)21(29)25-22-26-23-28(27-22)17(13-33-23)14-7-9-16(24)10-8-14/h7-13H,4-6H2,1-3H3,(H,25,27,29).
What are the key properties of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide?
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide has a molecular weight of 486.98 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 108752346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).