2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C11H11N7OS2 — CID 3227871

IUPAC2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc2nnc(SCC(=O)Nc3nccs3)n2c(N)n1
InChIInChI=1S/C11H11N7OS2/c1-6-4-7-16-17-11(18(7)9(12)14-6)21-5-8(19)15-10-13-2-3-20-10/h2-4H,5H2,1H3,(H2,12,14)(H,13,15,19)
InChIKeyCJDDQAPXGBGEBA-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.20
Rot. Bonds4

About 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3227871) has the molecular formula C11H11N7OS2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3227871
Molecular FormulaC11H11N7OS2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC Name2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc2nnc(SCC(=O)Nc3nccs3)n2c(N)n1
InChIInChI=1S/C11H11N7OS2/c1-6-4-7-16-17-11(18(7)9(12)14-6)21-5-8(19)15-10-13-2-3-20-10/h2-4H,5H2,1H3,(H2,12,14)(H,13,15,19)
InChIKeyCJDDQAPXGBGEBA-UHFFFAOYSA-N
XLogP1.20
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3227871) is 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cc2nnc(SCC(=O)Nc3nccs3)n2c(N)n1.
What is the InChIKey of 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CJDDQAPXGBGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS2/c1-6-4-7-16-17-11(18(7)9(12)14-6)21-5-8(19)15-10-13-2-3-20-10/h2-4H,5H2,1H3,(H2,12,14)(H,13,15,19).
What are the key properties of 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 321.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3227871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).