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

C9H16N2O2S — CID 63312925

IUPAC3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
SMILESCC(C)NCC(O)Cn1ccsc1=O
InChIInChI=1S/C9H16N2O2S/c1-7(2)10-5-8(12)6-11-3-4-14-9(11)13/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyHOQJAXSDHGAEQB-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.27
Rot. Bonds5

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

3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one (PubChem CID 63312925) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
PubChem CID63312925
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
SMILESCC(C)NCC(O)Cn1ccsc1=O
InChIInChI=1S/C9H16N2O2S/c1-7(2)10-5-8(12)6-11-3-4-14-9(11)13/h3-4,7-8,10,12H,5-6H2,1-2H3
InChIKeyHOQJAXSDHGAEQB-UHFFFAOYSA-N
XLogP0.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one 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 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one (CID 63312925) is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one is CC(C)NCC(O)Cn1ccsc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is HOQJAXSDHGAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(2)10-5-8(12)6-11-3-4-14-9(11)13/h3-4,7-8,10,12H,5-6H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).