(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one

C8H11NO2S — CID 134946372

IUPAC(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one
SMILESCC(C)[C@H]1COC2=S=CC(=O)N21
InChIInChI=1S/C8H11NO2S/c1-5(2)6-3-11-8-9(6)7(10)4-12-8/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyTXWBPJFVMRVCEU-ZCFIWIBFSA-N
MW185.25 g/mol
LogP0.51
Rot. Bonds1

About (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one

(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one (PubChem CID 134946372) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one
PubChem CID134946372
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one
SMILESCC(C)[C@H]1COC2=S=CC(=O)N21
InChIInChI=1S/C8H11NO2S/c1-5(2)6-3-11-8-9(6)7(10)4-12-8/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyTXWBPJFVMRVCEU-ZCFIWIBFSA-N
XLogP0.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one?
The IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one (CID 134946372) is (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one.
What is the SMILES notation for (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one?
The canonical SMILES for (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one is CC(C)[C@H]1COC2=S=CC(=O)N21.
What is the InChIKey of (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one?
The InChIKey is TXWBPJFVMRVCEU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5(2)6-3-11-8-9(6)7(10)4-12-8/h4-6H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one?
(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one has a molecular weight of 185.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one is sourced from PubChem (CID 134946372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).