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

C7H12N2O2S — CID 63312882

IUPAC3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one
SMILESCNCC(O)Cn1ccsc1=O
InChIInChI=1S/C7H12N2O2S/c1-8-4-6(10)5-9-2-3-12-7(9)11/h2-3,6,8,10H,4-5H2,1H3
InChIKeyQZTUBCFONUDEQP-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.51
Rot. Bonds4

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

3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one (PubChem CID 63312882) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one
PubChem CID63312882
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one
SMILESCNCC(O)Cn1ccsc1=O
InChIInChI=1S/C7H12N2O2S/c1-8-4-6(10)5-9-2-3-12-7(9)11/h2-3,6,8,10H,4-5H2,1H3
InChIKeyQZTUBCFONUDEQP-UHFFFAOYSA-N
XLogP-0.51
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.51
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-(methylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one (CID 63312882) is 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one is CNCC(O)Cn1ccsc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is QZTUBCFONUDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8-4-6(10)5-9-2-3-12-7(9)11/h2-3,6,8,10H,4-5H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one?
3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).