N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C13H15N3O3S — CID 43824852

IUPACN-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1C(N)=S)N1CCOC1=O
InChIInChI=1S/C13H15N3O3S/c1-8(16-6-7-19-13(16)18)12(17)15-10-5-3-2-4-9(10)11(14)20/h2-5,8H,6-7H2,1H3,(H2,14,20)(H,15,17)
InChIKeyPIYWWJXNOPVSOQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.10
Rot. Bonds4

About N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 43824852) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID43824852
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1C(N)=S)N1CCOC1=O
InChIInChI=1S/C13H15N3O3S/c1-8(16-6-7-19-13(16)18)12(17)15-10-5-3-2-4-9(10)11(14)20/h2-5,8H,6-7H2,1H3,(H2,14,20)(H,15,17)
InChIKeyPIYWWJXNOPVSOQ-UHFFFAOYSA-N
XLogP1.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 43824852) is N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide is CC(C(=O)Nc1ccccc1C(N)=S)N1CCOC1=O.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is PIYWWJXNOPVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(16-6-7-19-13(16)18)12(17)15-10-5-3-2-4-9(10)11(14)20/h2-5,8H,6-7H2,1H3,(H2,14,20)(H,15,17).
What are the key properties of N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 43824852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).