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

C10H11N5OS2 — CID 3822989

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nncs2)n1
InChIInChI=1S/C10H11N5OS2/c1-6-3-7(2)13-9(12-6)17-4-8(16)14-10-15-11-5-18-10/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyUNRQGZUTCLXJQC-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.68
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3822989) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3822989
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nncs2)n1
InChIInChI=1S/C10H11N5OS2/c1-6-3-7(2)13-9(12-6)17-4-8(16)14-10-15-11-5-18-10/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyUNRQGZUTCLXJQC-UHFFFAOYSA-N
XLogP1.68
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 3822989) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2nncs2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UNRQGZUTCLXJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-6-3-7(2)13-9(12-6)17-4-8(16)14-10-15-11-5-18-10/h3,5H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 281.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3822989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).