3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one

C11H20N2O2S — CID 63312240

IUPAC3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CNC(C)C)c1C
InChIInChI=1S/C11H20N2O2S/c1-7(2)12-5-10(14)6-13-8(3)9(4)16-11(13)15/h7,10,12,14H,5-6H2,1-4H3
InChIKeyZHKOWDUHUXEYEQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.89
Rot. Bonds5

About 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312240) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312240
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CNC(C)C)c1C
InChIInChI=1S/C11H20N2O2S/c1-7(2)12-5-10(14)6-13-8(3)9(4)16-11(13)15/h7,10,12,14H,5-6H2,1-4H3
InChIKeyZHKOWDUHUXEYEQ-UHFFFAOYSA-N
XLogP0.89
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312240) is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(O)CNC(C)C)c1C.
What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is ZHKOWDUHUXEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)12-5-10(14)6-13-8(3)9(4)16-11(13)15/h7,10,12,14H,5-6H2,1-4H3.
What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 244.36 g/mol, XLogP of 0.89, 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]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).