2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

C17H16N6OS — CID 51317373

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(NC(=O)Cn3cnnc3C#N)n2)cc1
InChIInChI=1S/C17H16N6OS/c1-2-3-12-4-6-13(7-5-12)14-10-25-17(20-14)21-16(24)9-23-11-19-22-15(23)8-18/h4-7,10-11H,2-3,9H2,1H3,(H,20,21,24)
InChIKeyIERASZJAMOKCHU-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.86
Rot. Bonds6

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 51317373) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID51317373
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(NC(=O)Cn3cnnc3C#N)n2)cc1
InChIInChI=1S/C17H16N6OS/c1-2-3-12-4-6-13(7-5-12)14-10-25-17(20-14)21-16(24)9-23-11-19-22-15(23)8-18/h4-7,10-11H,2-3,9H2,1H3,(H,20,21,24)
InChIKeyIERASZJAMOKCHU-UHFFFAOYSA-N
XLogP2.86
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8632772
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 42943028
5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide
CID 39037579
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16580648
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550403
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5106839
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 51317373) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(NC(=O)Cn3cnnc3C#N)n2)cc1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is IERASZJAMOKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-2-3-12-4-6-13(7-5-12)14-10-25-17(20-14)21-16(24)9-23-11-19-22-15(23)8-18/h4-7,10-11H,2-3,9H2,1H3,(H,20,21,24).
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 352.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 51317373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).