2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide

C11H11N3OS2 — CID 2379608

IUPAC2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccn1)NCc1cccs1
InChIInChI=1S/C11H11N3OS2/c15-10(14-7-9-3-1-6-16-9)8-17-11-12-4-2-5-13-11/h1-6H,7-8H2,(H,14,15)
InChIKeyXKQJROSHSJWBGE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.95
Rot. Bonds5

About 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2379608) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2379608
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccn1)NCc1cccs1
InChIInChI=1S/C11H11N3OS2/c15-10(14-7-9-3-1-6-16-9)8-17-11-12-4-2-5-13-11/h1-6H,7-8H2,(H,14,15)
InChIKeyXKQJROSHSJWBGE-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 2379608) is 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1ncccn1)NCc1cccs1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XKQJROSHSJWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c15-10(14-7-9-3-1-6-16-9)8-17-11-12-4-2-5-13-11/h1-6H,7-8H2,(H,14,15).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2379608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).