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

C12H10N6O2S2 — CID 29140567

IUPACN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1nn2c(NC(=O)CSc3ncccn3)csc2nc1=O
InChIInChI=1S/C12H10N6O2S2/c1-7-10(20)16-12-18(17-7)8(5-22-12)15-9(19)6-21-11-13-3-2-4-14-11/h2-5H,6H2,1H3,(H,15,19)
InChIKeyLDYGNYIYQRYQMG-UHFFFAOYSA-N
MW334.39 g/mol
LogP0.98
Rot. Bonds4

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

N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 29140567) has the molecular formula C12H10N6O2S2 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID29140567
Molecular FormulaC12H10N6O2S2
Molecular Weight334.39 g/mol
Exact Mass334.03
IUPAC NameN-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1nn2c(NC(=O)CSc3ncccn3)csc2nc1=O
InChIInChI=1S/C12H10N6O2S2/c1-7-10(20)16-12-18(17-7)8(5-22-12)15-9(19)6-21-11-13-3-2-4-14-11/h2-5H,6H2,1H3,(H,15,19)
InChIKeyLDYGNYIYQRYQMG-UHFFFAOYSA-N
XLogP0.98
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 29140567) is N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1nn2c(NC(=O)CSc3ncccn3)csc2nc1=O.
What is the InChIKey of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is LDYGNYIYQRYQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S2/c1-7-10(20)16-12-18(17-7)8(5-22-12)15-9(19)6-21-11-13-3-2-4-14-11/h2-5H,6H2,1H3,(H,15,19).
What are the key properties of N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 334.39 g/mol, XLogP of 0.98, 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-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 29140567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).