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

C9H9N5OS2 — CID 709550

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2ncccn2)s1
InChIInChI=1S/C9H9N5OS2/c1-6-13-14-9(17-6)12-7(15)5-16-8-10-3-2-4-11-8/h2-4H,5H2,1H3,(H,12,14,15)
InChIKeyIHKREOJDOFRJKQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.37
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 709550) has the molecular formula C9H9N5OS2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID709550
Molecular FormulaC9H9N5OS2
Molecular Weight267.34 g/mol
Exact Mass267.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2ncccn2)s1
InChIInChI=1S/C9H9N5OS2/c1-6-13-14-9(17-6)12-7(15)5-16-8-10-3-2-4-11-8/h2-4H,5H2,1H3,(H,12,14,15)
InChIKeyIHKREOJDOFRJKQ-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 709550) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1nnc(NC(=O)CSc2ncccn2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is IHKREOJDOFRJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS2/c1-6-13-14-9(17-6)12-7(15)5-16-8-10-3-2-4-11-8/h2-4H,5H2,1H3,(H,12,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide 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 N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 709550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).