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

C9H16N2O2S — CID 63312926

IUPAC3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one
SMILESCCCNCC(O)Cn1ccsc1=O
InChIInChI=1S/C9H16N2O2S/c1-2-3-10-6-8(12)7-11-4-5-14-9(11)13/h4-5,8,10,12H,2-3,6-7H2,1H3
InChIKeyZQQRBYABVZMFMP-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.27
Rot. Bonds6

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

3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one (PubChem CID 63312926) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one
PubChem CID63312926
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one
SMILESCCCNCC(O)Cn1ccsc1=O
InChIInChI=1S/C9H16N2O2S/c1-2-3-10-6-8(12)7-11-4-5-14-9(11)13/h4-5,8,10,12H,2-3,6-7H2,1H3
InChIKeyZQQRBYABVZMFMP-UHFFFAOYSA-N
XLogP0.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

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]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one (CID 63312926) is 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one is CCCNCC(O)Cn1ccsc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is ZQQRBYABVZMFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-3-10-6-8(12)7-11-4-5-14-9(11)13/h4-5,8,10,12H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one?
3-[2-hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.27, 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]-1,3-thiazol-2-one is sourced from PubChem (CID 63312926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).