3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one

C14H26N2O2S — CID 111107227

IUPAC3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(CCCO)CC(C)(C)C
InChIInChI=1S/C14H26N2O2S/c1-12-10-19-13(18)16(12)8-7-15(6-5-9-17)11-14(2,3)4/h10,17H,5-9,11H2,1-4H3
InChIKeyWIEVIJCQIUQWDE-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.95
Rot. Bonds7

About 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 111107227) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID111107227
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(CCCO)CC(C)(C)C
InChIInChI=1S/C14H26N2O2S/c1-12-10-19-13(18)16(12)8-7-15(6-5-9-17)11-14(2,3)4/h10,17H,5-9,11H2,1-4H3
InChIKeyWIEVIJCQIUQWDE-UHFFFAOYSA-N
XLogP1.95
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-Hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111109917
3-(3-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43509712
N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 54916428
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 81646515
3-(3-Hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 104318489
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381046
3-[2-[1-Hydroxypropan-2-yl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 109622051
3-[2-[2-Hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 110880796
3-[2-[2-Hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111103149
3-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 112355829
N-ethyl-N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113339494

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 111107227) is 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN(CCCO)CC(C)(C)C.
What is the InChIKey of 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is WIEVIJCQIUQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-12-10-19-13(18)16(12)8-7-15(6-5-9-17)11-14(2,3)4/h10,17H,5-9,11H2,1-4H3.
What are the key properties of 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 286.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 111107227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).