N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C12H10FN3O2S — CID 7183853

IUPACN-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccnc(=O)[nH]1)Nc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2S/c13-8-1-3-9(4-2-8)15-10(17)7-19-11-5-6-14-12(18)16-11/h1-6H,7H2,(H,15,17)(H,14,16,18)
InChIKeyAUVPPMJFKXFYBN-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.64
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 7183853) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID7183853
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC NameN-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccnc(=O)[nH]1)Nc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2S/c13-8-1-3-9(4-2-8)15-10(17)7-19-11-5-6-14-12(18)16-11/h1-6H,7H2,(H,15,17)(H,14,16,18)
InChIKeyAUVPPMJFKXFYBN-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 7183853) is N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is O=C(CSc1ccnc(=O)[nH]1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is AUVPPMJFKXFYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c13-8-1-3-9(4-2-8)15-10(17)7-19-11-5-6-14-12(18)16-11/h1-6H,7H2,(H,15,17)(H,14,16,18).
What are the key properties of N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).