2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

C20H19N5O2S — CID 42943028

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(NC(=O)Cn3nc4ccccn4c3=O)n2)cc1
InChIInChI=1S/C20H19N5O2S/c1-2-5-14-7-9-15(10-8-14)16-13-28-19(21-16)22-18(26)12-25-20(27)24-11-4-3-6-17(24)23-25/h3-4,6-11,13H,2,5,12H2,1H3,(H,21,22,26)
InChIKeyWDCPUXRFULVQQA-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.21
Rot. Bonds6

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 42943028) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID42943028
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(NC(=O)Cn3nc4ccccn4c3=O)n2)cc1
InChIInChI=1S/C20H19N5O2S/c1-2-5-14-7-9-15(10-8-14)16-13-28-19(21-16)22-18(26)12-25-20(27)24-11-4-3-6-17(24)23-25/h3-4,6-11,13H,2,5,12H2,1H3,(H,21,22,26)
InChIKeyWDCPUXRFULVQQA-UHFFFAOYSA-N
XLogP3.21
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78851794
3-[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539161
2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 51317373
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550403
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8917741
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8632772
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134043238
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 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) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(NC(=O)Cn3nc4ccccn4c3=O)n2)cc1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WDCPUXRFULVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-2-5-14-7-9-15(10-8-14)16-13-28-19(21-16)22-18(26)12-25-20(27)24-11-4-3-6-17(24)23-25/h3-4,6-11,13H,2,5,12H2,1H3,(H,21,22,26).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 42943028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).