3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one

C10H18N2O2S — CID 63312239

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNCC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H18N2O2S/c1-4-11-5-9(13)6-12-7(2)8(3)15-10(12)14/h9,11,13H,4-6H2,1-3H3
InChIKeyJXVSQLDQQWXDHS-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.50
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312239) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312239
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCNCC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H18N2O2S/c1-4-11-5-9(13)6-12-7(2)8(3)15-10(12)14/h9,11,13H,4-6H2,1-3H3
InChIKeyJXVSQLDQQWXDHS-UHFFFAOYSA-N
XLogP0.50
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
3-(2-Hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 63310458
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
3-(3-Amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 63312952
3-[2-Hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312953
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312954
4,5-Dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one
CID 64534254
N-(2-hydroxypropyl)-3,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 84323727

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312239) is 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one is CCNCC(O)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is JXVSQLDQQWXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-11-5-9(13)6-12-7(2)8(3)15-10(12)14/h9,11,13H,4-6H2,1-3H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 0.50, 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]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).