N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide

C13H15N3OS2 — CID 2811769

IUPACN-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)NC(=O)CSc1nccc(-c2cccs2)n1
InChIInChI=1S/C13H15N3OS2/c1-9(2)15-12(17)8-19-13-14-6-5-10(16-13)11-4-3-7-18-11/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyXEAXASBWBKVLMB-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.82
Rot. Bonds5

About N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide

N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2811769) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2811769
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)NC(=O)CSc1nccc(-c2cccs2)n1
InChIInChI=1S/C13H15N3OS2/c1-9(2)15-12(17)8-19-13-14-6-5-10(16-13)11-4-3-7-18-11/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyXEAXASBWBKVLMB-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 2811769) is N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide is CC(C)NC(=O)CSc1nccc(-c2cccs2)n1.
What is the InChIKey of N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XEAXASBWBKVLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9(2)15-12(17)8-19-13-14-6-5-10(16-13)11-4-3-7-18-11/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 293.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2811769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).