2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide

C7H8FN3OS — CID 164645393

IUPAC2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccnc(F)n1
InChIInChI=1S/C7H8FN3OS/c1-9-5(12)4-13-6-2-3-10-7(8)11-6/h2-3H,4H2,1H3,(H,9,12)
InChIKeyCWNSWXSVTIZKKX-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.45
Rot. Bonds3

About 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide

2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 164645393) has the molecular formula C7H8FN3OS and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide
PubChem CID164645393
Molecular FormulaC7H8FN3OS
Molecular Weight201.23 g/mol
Exact Mass201.04
IUPAC Name2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ccnc(F)n1
InChIInChI=1S/C7H8FN3OS/c1-9-5(12)4-13-6-2-3-10-7(8)11-6/h2-3H,4H2,1H3,(H,9,12)
InChIKeyCWNSWXSVTIZKKX-UHFFFAOYSA-N
XLogP0.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide (CID 164645393) is 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide is CNC(=O)CSc1ccnc(F)n1.
What is the InChIKey of 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is CWNSWXSVTIZKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3OS/c1-9-5(12)4-13-6-2-3-10-7(8)11-6/h2-3H,4H2,1H3,(H,9,12).
What are the key properties of 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide?
2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 201.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropyrimidin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 164645393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).