(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione

C10H10FN3O3S — CID 141156542

IUPAC(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione
SMILESNc1scc2c1CN([C@@]1(F)CCC(=O)NC1=O)O2
InChIInChI=1S/C10H10FN3O3S/c11-10(2-1-7(15)13-9(10)16)14-3-5-6(17-14)4-18-8(5)12/h4H,1-3,12H2,(H,13,15,16)/t10-/m0/s1
InChIKeyLQDGDFRFFLGEMQ-JTQLQIEISA-N
MW271.27 g/mol
LogP0.54
Rot. Bonds1

About (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione

(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione (PubChem CID 141156542) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione
PubChem CID141156542
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione
SMILESNc1scc2c1CN([C@@]1(F)CCC(=O)NC1=O)O2
InChIInChI=1S/C10H10FN3O3S/c11-10(2-1-7(15)13-9(10)16)14-3-5-6(17-14)4-18-8(5)12/h4H,1-3,12H2,(H,13,15,16)/t10-/m0/s1
InChIKeyLQDGDFRFFLGEMQ-JTQLQIEISA-N
XLogP0.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione?
The IUPAC name of (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione (CID 141156542) is (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione?
The canonical SMILES for (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione is Nc1scc2c1CN([C@@]1(F)CCC(=O)NC1=O)O2.
What is the InChIKey of (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione?
The InChIKey is LQDGDFRFFLGEMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10FN3O3S/c11-10(2-1-7(15)13-9(10)16)14-3-5-6(17-14)4-18-8(5)12/h4H,1-3,12H2,(H,13,15,16)/t10-/m0/s1.
What are the key properties of (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione?
(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione has a molecular weight of 271.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione is sourced from PubChem (CID 141156542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).