N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C12H9F2N3O2S — CID 9143482

IUPACN-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H9F2N3O2S/c13-7-1-2-8(14)9(5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyAHOVIFVJBCZTGT-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.78
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 9143482) has the molecular formula C12H9F2N3O2S and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID9143482
Molecular FormulaC12H9F2N3O2S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC NameN-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H9F2N3O2S/c13-7-1-2-8(14)9(5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyAHOVIFVJBCZTGT-UHFFFAOYSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 9143482) is N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is AHOVIFVJBCZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2S/c13-7-1-2-8(14)9(5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18).
What are the key properties of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 297.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9143482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).