3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one

C9H16N2O2S — CID 43286826

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
SMILESCCNCC(O)Cn1c(C)csc1=O
InChIInChI=1S/C9H16N2O2S/c1-3-10-4-8(12)5-11-7(2)6-14-9(11)13/h6,8,10,12H,3-5H2,1-2H3
InChIKeyZWYPMVRRKHXFBN-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.19
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one

3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43286826) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43286826
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
SMILESCCNCC(O)Cn1c(C)csc1=O
InChIInChI=1S/C9H16N2O2S/c1-3-10-4-8(12)5-11-7(2)6-14-9(11)13/h6,8,10,12H,3-5H2,1-2H3
InChIKeyZWYPMVRRKHXFBN-UHFFFAOYSA-N
XLogP0.19
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.19
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-[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-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one (CID 43286826) is 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one is CCNCC(O)Cn1c(C)csc1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is ZWYPMVRRKHXFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-10-4-8(12)5-11-7(2)6-14-9(11)13/h6,8,10,12H,3-5H2,1-2H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43286826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).