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

C25H26N6O3S — CID 108729171

IUPACN-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)CCCCCNC(=O)c4ccccc4)nn23)cc1
InChIInChI=1S/C25H26N6O3S/c1-17(32)27-20-13-11-18(12-14-20)21-16-35-25-29-24(30-31(21)25)28-22(33)10-6-3-7-15-26-23(34)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,26,34)(H,27,32)(H,28,30,33)
InChIKeyPTALZTPAUBILCY-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.35
Rot. Bonds10

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

N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide (PubChem CID 108729171) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide
PubChem CID108729171
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(NC(=O)CCCCCNC(=O)c4ccccc4)nn23)cc1
InChIInChI=1S/C25H26N6O3S/c1-17(32)27-20-13-11-18(12-14-20)21-16-35-25-29-24(30-31(21)25)28-22(33)10-6-3-7-15-26-23(34)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,26,34)(H,27,32)(H,28,30,33)
InChIKeyPTALZTPAUBILCY-UHFFFAOYSA-N
XLogP4.35
TPSA117.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-[[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108728436
N'-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-N-(4-fluorophenyl)butanediamide
CID 108752985
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108753035
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]-3-methylbenzamide
CID 108729163
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxo-4-phenylbutanamide
CID 108729091
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108729205
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]-2-methoxybenzamide
CID 108752948
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenoxybutanamide
CID 108752294
N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
CID 108748009

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide (CID 108729171) is N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide is CC(=O)Nc1ccc(-c2csc3nc(NC(=O)CCCCCNC(=O)c4ccccc4)nn23)cc1.
What is the InChIKey of N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide?
The InChIKey is PTALZTPAUBILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-17(32)27-20-13-11-18(12-14-20)21-16-35-25-29-24(30-31(21)25)28-22(33)10-6-3-7-15-26-23(34)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,26,34)(H,27,32)(H,28,30,33).
What are the key properties of N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide?
N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-6-oxohexyl]benzamide is sourced from PubChem (CID 108729171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).