2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide

C8H8N6OS2 — CID 2040489

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESNc1nnc(SCC(=O)Nc2ncccn2)s1
InChIInChI=1S/C8H8N6OS2/c9-6-13-14-8(17-6)16-4-5(15)12-7-10-2-1-3-11-7/h1-3H,4H2,(H2,9,13)(H,10,11,12,15)
InChIKeyXFTFOVFEKLUOIG-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.64
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (PubChem CID 2040489) has the molecular formula C8H8N6OS2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
PubChem CID2040489
Molecular FormulaC8H8N6OS2
Molecular Weight268.33 g/mol
Exact Mass268.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESNc1nnc(SCC(=O)Nc2ncccn2)s1
InChIInChI=1S/C8H8N6OS2/c9-6-13-14-8(17-6)16-4-5(15)12-7-10-2-1-3-11-7/h1-3H,4H2,(H2,9,13)(H,10,11,12,15)
InChIKeyXFTFOVFEKLUOIG-UHFFFAOYSA-N
XLogP0.64
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (CID 2040489) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is Nc1nnc(SCC(=O)Nc2ncccn2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is XFTFOVFEKLUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS2/c9-6-13-14-8(17-6)16-4-5(15)12-7-10-2-1-3-11-7/h1-3H,4H2,(H2,9,13)(H,10,11,12,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 268.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 2040489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).