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

C8H14N2O2S — CID 43286827

IUPAC3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
SMILESCNCC(O)Cn1c(C)csc1=O
InChIInChI=1S/C8H14N2O2S/c1-6-5-13-8(12)10(6)4-7(11)3-9-2/h5,7,9,11H,3-4H2,1-2H3
InChIKeyNFEUHYJGDWNIMR-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.20
Rot. Bonds4

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

3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43286827) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43286827
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
SMILESCNCC(O)Cn1c(C)csc1=O
InChIInChI=1S/C8H14N2O2S/c1-6-5-13-8(12)10(6)4-7(11)3-9-2/h5,7,9,11H,3-4H2,1-2H3
InChIKeyNFEUHYJGDWNIMR-UHFFFAOYSA-N
XLogP-0.20
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[2-Hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286825
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
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-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one (CID 43286827) is 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one is CNCC(O)Cn1c(C)csc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is NFEUHYJGDWNIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6-5-13-8(12)10(6)4-7(11)3-9-2/h5,7,9,11H,3-4H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one?
3-[2-hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of -0.20, 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]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43286827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).