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

C9H9N5OS2 — CID 755252

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESCc1nnc(SCC(=O)Nc2ncccn2)s1
InChIInChI=1S/C9H9N5OS2/c1-6-13-14-9(17-6)16-5-7(15)12-8-10-3-2-4-11-8/h2-4H,5H2,1H3,(H,10,11,12,15)
InChIKeySYPWTIBVJQNYBP-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.37
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (PubChem CID 755252) has the molecular formula C9H9N5OS2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
PubChem CID755252
Molecular FormulaC9H9N5OS2
Molecular Weight267.34 g/mol
Exact Mass267.02
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESCc1nnc(SCC(=O)Nc2ncccn2)s1
InChIInChI=1S/C9H9N5OS2/c1-6-13-14-9(17-6)16-5-7(15)12-8-10-3-2-4-11-8/h2-4H,5H2,1H3,(H,10,11,12,15)
InChIKeySYPWTIBVJQNYBP-UHFFFAOYSA-N
XLogP1.37
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 648658
N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 24793462
2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660581
2-[(5-butyl-4H-1,2,4-triazol-3-yl)thio]-N-2-pyrimidinylacetamide
CID 2171386
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
N-(ethylcarbamoyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 17411298
N-(6-methyl-7-oxo-7H-thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 29140567
2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 708835
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 709550
Cambridge id 7126499
CID 1075880
2-((4-methyl-5-((pyrimidin-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 2145074
1-(3-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)propyl)-3-(pyrimidin-2-yl)urea
CID 7423830

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (CID 755252) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is Cc1nnc(SCC(=O)Nc2ncccn2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is SYPWTIBVJQNYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS2/c1-6-13-14-9(17-6)16-5-7(15)12-8-10-3-2-4-11-8/h2-4H,5H2,1H3,(H,10,11,12,15).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 267.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 755252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).