2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C9H11N7OS2 — CID 2168880

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C9H11N7OS2/c1-4-15-16-9(19-4)14-7(17)3-18-8-12-5(10)2-6(11)13-8/h2H,3H2,1H3,(H,14,16,17)(H4,10,11,12,13)
InChIKeyRETFUSCQZDUZCU-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.53
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2168880) has the molecular formula C9H11N7OS2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2168880
Molecular FormulaC9H11N7OS2
Molecular Weight297.37 g/mol
Exact Mass297.05
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C9H11N7OS2/c1-4-15-16-9(19-4)14-7(17)3-18-8-12-5(10)2-6(11)13-8/h2H,3H2,1H3,(H,14,16,17)(H4,10,11,12,13)
InChIKeyRETFUSCQZDUZCU-UHFFFAOYSA-N
XLogP0.53
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2168880) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RETFUSCQZDUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7OS2/c1-4-15-16-9(19-4)14-7(17)3-18-8-12-5(10)2-6(11)13-8/h2H,3H2,1H3,(H,14,16,17)(H4,10,11,12,13).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 297.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2168880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).