N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C10H11N5OS2 — CID 1075880

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2ncccn2)s1
InChIInChI=1S/C10H11N5OS2/c1-2-8-14-15-10(18-8)13-7(16)6-17-9-11-4-3-5-12-9/h3-5H,2,6H2,1H3,(H,13,15,16)
InChIKeyWWZCMZJTOXFCAA-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.62
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 1075880) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID1075880
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2ncccn2)s1
InChIInChI=1S/C10H11N5OS2/c1-2-8-14-15-10(18-8)13-7(16)6-17-9-11-4-3-5-12-9/h3-5H,2,6H2,1H3,(H,13,15,16)
InChIKeyWWZCMZJTOXFCAA-UHFFFAOYSA-N
XLogP1.62
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 1075880) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is CCc1nnc(NC(=O)CSc2ncccn2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is WWZCMZJTOXFCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-2-8-14-15-10(18-8)13-7(16)6-17-9-11-4-3-5-12-9/h3-5H,2,6H2,1H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 281.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 1075880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).