3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one

C12H19N3O2S — CID 71986833

IUPAC3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
SMILESCC(C)(NCCCN1CCOC1=O)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-12(2,10-13-5-9-18-10)14-4-3-6-15-7-8-17-11(15)16/h5,9,14H,3-4,6-8H2,1-2H3
InChIKeyVWKCRNCHAWQQGP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.81
Rot. Bonds6

About 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one

3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one (PubChem CID 71986833) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
PubChem CID71986833
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
SMILESCC(C)(NCCCN1CCOC1=O)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-12(2,10-13-5-9-18-10)14-4-3-6-15-7-8-17-11(15)16/h5,9,14H,3-4,6-8H2,1-2H3
InChIKeyVWKCRNCHAWQQGP-UHFFFAOYSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one (CID 71986833) is 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one is CC(C)(NCCCN1CCOC1=O)c1nccs1.
What is the InChIKey of 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one?
The InChIKey is VWKCRNCHAWQQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,10-13-5-9-18-10)14-4-3-6-15-7-8-17-11(15)16/h5,9,14H,3-4,6-8H2,1-2H3.
What are the key properties of 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one?
3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one has a molecular weight of 269.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71986833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).