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

C11H20N2O2S — CID 63312241

IUPAC3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCCNCC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C11H20N2O2S/c1-4-5-12-6-10(14)7-13-8(2)9(3)16-11(13)15/h10,12,14H,4-7H2,1-3H3
InChIKeyWMJWCXSBESRHII-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.89
Rot. Bonds6

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

3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312241) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312241
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCCNCC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C11H20N2O2S/c1-4-5-12-6-10(14)7-13-8(2)9(3)16-11(13)15/h10,12,14H,4-7H2,1-3H3
InChIKeyWMJWCXSBESRHII-UHFFFAOYSA-N
XLogP0.89
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

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-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312241) is 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is CCCNCC(O)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is WMJWCXSBESRHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-5-12-6-10(14)7-13-8(2)9(3)16-11(13)15/h10,12,14H,4-7H2,1-3H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 244.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).