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

C19H17N5O2S — CID 108811515

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C19H17N5O2S/c1-12-8-15(25)9-13(2)23(12)10-17(26)20-18-21-19-24(22-18)16(11-27-19)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,22,26)
InChIKeyYSWISDKYEITMPO-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.88
Rot. Bonds4

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

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (PubChem CID 108811515) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[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-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
PubChem CID108811515
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C19H17N5O2S/c1-12-8-15(25)9-13(2)23(12)10-17(26)20-18-21-19-24(22-18)16(11-27-19)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,22,26)
InChIKeyYSWISDKYEITMPO-UHFFFAOYSA-N
XLogP2.88
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108727880
4-(3,4-dimethylphenyl)-4-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butanamide
CID 108727904
3-(1,3-dioxoisoindol-2-yl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751815
3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751761
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenylacetamide
CID 108752715
2-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728076
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855
4-(4-chlorophenyl)-4-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butanamide
CID 108727919
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[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-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (CID 108811515) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[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-phenyl-[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-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is Cc1cc(=O)cc(C)n1CC(=O)Nc1nc2scc(-c3ccccc3)n2n1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The InChIKey is YSWISDKYEITMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-8-15(25)9-13(2)23(12)10-17(26)20-18-21-19-24(22-18)16(11-27-19)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,20,22,26).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is sourced from PubChem (CID 108811515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).