1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine

C10H16N2OS — CID 115082089

IUPAC1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(C2CCSC2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)4-9-5-13-10(12-9)8-2-3-14-6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyKNBFLUQQXFUBNE-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine

1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115082089) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115082089
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(C2CCSC2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)4-9-5-13-10(12-9)8-2-3-14-6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyKNBFLUQQXFUBNE-UHFFFAOYSA-N
XLogP1.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine (CID 115082089) is 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine is CC(N)Cc1coc(C2CCSC2)n1.
What is the InChIKey of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is KNBFLUQQXFUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(11)4-9-5-13-10(12-9)8-2-3-14-6-8/h5,7-8H,2-4,6,11H2,1H3.
What are the key properties of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115082089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).