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

C8H9N7OS2 — CID 2168890

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2nncs2)n1
InChIInChI=1S/C8H9N7OS2/c9-4-1-5(10)13-7(12-4)17-2-6(16)14-8-15-11-3-18-8/h1,3H,2H2,(H,14,15,16)(H4,9,10,12,13)
InChIKeyAOPPFLGANLVELN-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.22
Rot. Bonds4

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2168890) has the molecular formula C8H9N7OS2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2168890
Molecular FormulaC8H9N7OS2
Molecular Weight283.34 g/mol
Exact Mass283.03
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2nncs2)n1
InChIInChI=1S/C8H9N7OS2/c9-4-1-5(10)13-7(12-4)17-2-6(16)14-8-15-11-3-18-8/h1,3H,2H2,(H,14,15,16)(H4,9,10,12,13)
InChIKeyAOPPFLGANLVELN-UHFFFAOYSA-N
XLogP0.22
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.22
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-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 2168890) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is Nc1cc(N)nc(SCC(=O)Nc2nncs2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is AOPPFLGANLVELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7OS2/c9-4-1-5(10)13-7(12-4)17-2-6(16)14-8-15-11-3-18-8/h1,3H,2H2,(H,14,15,16)(H4,9,10,12,13).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 283.34 g/mol, XLogP of 0.22, 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-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2168890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).