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

C19H14ClN5O2S — CID 108752967

IUPACN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)c4ccccc4Cl)nn23)cc1
InChIInChI=1S/C19H14ClN5O2S/c1-11(26)21-13-8-6-12(7-9-13)16-10-28-19-23-18(24-25(16)19)22-17(27)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,21,26)(H,22,24,27)
InChIKeyDLEAJSOZNQFIPU-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.32
Rot. Bonds4

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

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide (PubChem CID 108752967) has the molecular formula C19H14ClN5O2S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
PubChem CID108752967
Molecular FormulaC19H14ClN5O2S
Molecular Weight411.87 g/mol
Exact Mass411.06
IUPAC NameN-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)c4ccccc4Cl)nn23)cc1
InChIInChI=1S/C19H14ClN5O2S/c1-11(26)21-13-8-6-12(7-9-13)16-10-28-19-23-18(24-25(16)19)22-17(27)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,21,26)(H,22,24,27)
InChIKeyDLEAJSOZNQFIPU-UHFFFAOYSA-N
XLogP4.32
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,6-dichloro-2-methoxybenzamide
CID 108729156
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108729205
2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752707
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-iodobenzamide
CID 108752342
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
CID 108729163
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-bromofuran-2-carboxamide
CID 108752976
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108729264
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methoxyphenyl)-4-oxobutanamide
CID 108729254
2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752831

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]-2-chlorobenzamide?
The IUPAC name of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide (CID 108752967) is N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide is CC(=O)Nc1ccc(-c2csc3nc(NC(=O)c4ccccc4Cl)nn23)cc1.
What is the InChIKey of N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide?
The InChIKey is DLEAJSOZNQFIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2S/c1-11(26)21-13-8-6-12(7-9-13)16-10-28-19-23-18(24-25(16)19)22-17(27)14-4-2-3-5-15(14)20/h2-10H,1H3,(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]-2-chlorobenzamide?
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide has a molecular weight of 411.87 g/mol, XLogP of 4.32, 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]-2-chlorobenzamide is sourced from PubChem (CID 108752967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).