N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

C13H13N3O3S — CID 135541986

IUPACN-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO
InChIInChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18)
InChIKeyWNPFBIDOQFZHQF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.42
Rot. Bonds5

About N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135541986) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID135541986
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO
InChIInChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18)
InChIKeyWNPFBIDOQFZHQF-UHFFFAOYSA-N
XLogP1.42
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135541986) is N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is O=C(CCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO.
What is the InChIKey of N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is WNPFBIDOQFZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18).
What are the key properties of N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 291.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135541986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).