2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

C20H19N5O3S — CID 108811523

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc3nc(NC(=O)Cn4c(C)cc(=O)cc4C)nn23)cc1
InChIInChI=1S/C20H19N5O3S/c1-12-8-15(26)9-13(2)24(12)10-18(27)21-19-22-20-25(23-19)17(11-29-20)14-4-6-16(28-3)7-5-14/h4-9,11H,10H2,1-3H3,(H,21,23,27)
InChIKeyVPVBVFSZMNLGOC-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.88
Rot. Bonds5

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (PubChem CID 108811523) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
PubChem CID108811523
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc3nc(NC(=O)Cn4c(C)cc(=O)cc4C)nn23)cc1
InChIInChI=1S/C20H19N5O3S/c1-12-8-15(26)9-13(2)24(12)10-18(27)21-19-22-20-25(23-19)17(11-29-20)14-4-6-16(28-3)7-5-14/h4-9,11H,10H2,1-3H3,(H,21,23,27)
InChIKeyVPVBVFSZMNLGOC-UHFFFAOYSA-N
XLogP2.88
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108811515
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxypropanamide
CID 108729048
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxo-4-phenylbutanamide
CID 108729091
2-(4-chloro-3,5-dimethylphenoxy)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752902
2-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728076
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethylbenzamide
CID 108729041
4-(4-chlorophenoxy)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108752923
1-ethyl-3-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiourea
CID 108780813
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108753035

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (CID 108811523) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is COc1ccc(-c2csc3nc(NC(=O)Cn4c(C)cc(=O)cc4C)nn23)cc1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The InChIKey is VPVBVFSZMNLGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-12-8-15(26)9-13(2)24(12)10-18(27)21-19-22-20-25(23-19)17(11-29-20)14-4-6-16(28-3)7-5-14/h4-9,11H,10H2,1-3H3,(H,21,23,27).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is sourced from PubChem (CID 108811523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).