(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide

C11H16N4O2S — CID 3001388

IUPAC(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide
SMILESCCc1cc(C(N)=S)ccn1.N[C@@H]1CONC1=O
InChIInChI=1S/C8H10N2S.C3H6N2O2/c1-2-7-5-6(8(9)11)3-4-10-7;4-2-1-7-5-3(2)6/h3-5H,2H2,1H3,(H2,9,11);2H,1,4H2,(H,5,6)/t;2-/m.1/s1
InChIKeyHXPKIKQRQZWSBE-ARGLLVQISA-N
MW268.34 g/mol
LogP-0.35
Rot. Bonds2

About (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide

(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide (PubChem CID 3001388) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide.

Molecular Properties

Compound Name(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide
PubChem CID3001388
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide
SMILESCCc1cc(C(N)=S)ccn1.N[C@@H]1CONC1=O
InChIInChI=1S/C8H10N2S.C3H6N2O2/c1-2-7-5-6(8(9)11)3-4-10-7;4-2-1-7-5-3(2)6/h3-5H,2H2,1H3,(H2,9,11);2H,1,4H2,(H,5,6)/t;2-/m.1/s1
InChIKeyHXPKIKQRQZWSBE-ARGLLVQISA-N
XLogP-0.35
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide?
The IUPAC name of (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide (CID 3001388) is (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide.
What is the SMILES notation for (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide?
The canonical SMILES for (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide is CCc1cc(C(N)=S)ccn1.N[C@@H]1CONC1=O.
What is the InChIKey of (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide?
The InChIKey is HXPKIKQRQZWSBE-ARGLLVQISA-N. The full InChI is InChI=1S/C8H10N2S.C3H6N2O2/c1-2-7-5-6(8(9)11)3-4-10-7;4-2-1-7-5-3(2)6/h3-5H,2H2,1H3,(H2,9,11);2H,1,4H2,(H,5,6)/t;2-/m.1/s1.
What are the key properties of (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide?
(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide has a molecular weight of 268.34 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide is sourced from PubChem (CID 3001388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).