N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C13H12N6O2S2 — CID 42569151

IUPACN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)Nc2csc3nc(=O)c(C)nn23)n1
InChIInChI=1S/C13H12N6O2S2/c1-7-3-4-14-12(15-7)22-6-10(20)16-9-5-23-13-17-11(21)8(2)18-19(9)13/h3-5H,6H2,1-2H3,(H,16,20)
InChIKeyZRBXHSHXUZKOEW-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.29
Rot. Bonds4

About N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 42569151) has the molecular formula C13H12N6O2S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID42569151
Molecular FormulaC13H12N6O2S2
Molecular Weight348.41 g/mol
Exact Mass348.05
IUPAC NameN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)Nc2csc3nc(=O)c(C)nn23)n1
InChIInChI=1S/C13H12N6O2S2/c1-7-3-4-14-12(15-7)22-6-10(20)16-9-5-23-13-17-11(21)8(2)18-19(9)13/h3-5H,6H2,1-2H3,(H,16,20)
InChIKeyZRBXHSHXUZKOEW-UHFFFAOYSA-N
XLogP1.29
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6465408
N-(4,6-dimethyl-2-pyrimidinyl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
CID 888739
N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylthioacetamide
CID 951221
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-pyrimidinyl)acetamide
CID 672416
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158504
N-(6-methyl-7-oxo-7H-thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 29140567
2-Methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 3162791
2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine
CID 839265
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylpyrimidin-2-yl)acetamide
CID 2458295
N-(4-methylpyrimidin-2-yl)-1,3-dithiolane-2-carboxamide
CID 121536145
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 4896216

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 42569151) is N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)Nc2csc3nc(=O)c(C)nn23)n1.
What is the InChIKey of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ZRBXHSHXUZKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S2/c1-7-3-4-14-12(15-7)22-6-10(20)16-9-5-23-13-17-11(21)8(2)18-19(9)13/h3-5H,6H2,1-2H3,(H,16,20).
What are the key properties of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 348.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 42569151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).