N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide

C20H17N5O2S — CID 108729163

IUPACN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)c4cccc(C)c4)nn23)cc1
InChIInChI=1S/C20H17N5O2S/c1-12-4-3-5-15(10-12)18(27)22-19-23-20-25(24-19)17(11-28-20)14-6-8-16(9-7-14)21-13(2)26/h3-11H,1-2H3,(H,21,26)(H,22,24,27)
InChIKeyLUKADAYOTCAFML-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.98
Rot. Bonds4

About N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide (PubChem CID 108729163) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
PubChem CID108729163
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)c4cccc(C)c4)nn23)cc1
InChIInChI=1S/C20H17N5O2S/c1-12-4-3-5-15(10-12)18(27)22-19-23-20-25(24-19)17(11-28-20)14-6-8-16(9-7-14)21-13(2)26/h3-11H,1-2H3,(H,21,26)(H,22,24,27)
InChIKeyLUKADAYOTCAFML-UHFFFAOYSA-N
XLogP3.98
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752032
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 108729261
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108729205
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967
methyl 3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]benzoate
CID 108728393
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948
3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752211
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-bromofuran-2-carboxamide
CID 108752976
(2E,4E)-N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]hexa-2,4-dienamide
CID 108729170
3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108729264

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide (CID 108729163) is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide is CC(=O)Nc1ccc(-c2csc3nc(NC(=O)c4cccc(C)c4)nn23)cc1.
What is the InChIKey of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
The InChIKey is LUKADAYOTCAFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-4-3-5-15(10-12)18(27)22-19-23-20-25(24-19)17(11-28-20)14-6-8-16(9-7-14)21-13(2)26/h3-11H,1-2H3,(H,21,26)(H,22,24,27).
What are the key properties of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide has a molecular weight of 391.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 108729163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).