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

C10H18N2O2S — CID 43286825

IUPAC3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
SMILESCCCNCC(O)Cn1c(C)csc1=O
InChIInChI=1S/C10H18N2O2S/c1-3-4-11-5-9(13)6-12-8(2)7-15-10(12)14/h7,9,11,13H,3-6H2,1-2H3
InChIKeyUIIUNPNYGMQPLY-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.58
Rot. Bonds6

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

3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43286825) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43286825
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
SMILESCCCNCC(O)Cn1c(C)csc1=O
InChIInChI=1S/C10H18N2O2S/c1-3-4-11-5-9(13)6-12-8(2)7-15-10(12)14/h7,9,11,13H,3-6H2,1-2H3
InChIKeyUIIUNPNYGMQPLY-UHFFFAOYSA-N
XLogP0.58
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.58
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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Related Compounds

3-[3-(Cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286823
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286824
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
3-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
3-(3-Amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43286828
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43392550
N-(2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418351
n-(2-Hydroxypropyl)-4-(4-methyl-2-oxothiazol-3(2h)-yl)butanamide
CID 43418392
3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
3-[3-(Ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312239
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312240
3-[2-Hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312241

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one (CID 43286825) is 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one is CCCNCC(O)Cn1c(C)csc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is UIIUNPNYGMQPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-4-11-5-9(13)6-12-8(2)7-15-10(12)14/h7,9,11,13H,3-6H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one?
3-[2-hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 0.58, 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-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43286825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).