1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C11H16N2O2S — CID 116561494

IUPAC1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCNC1COCC1C(=O)Cc1csc(C)n1
InChIInChI=1S/C11H16N2O2S/c1-7-13-8(6-16-7)3-11(14)9-4-15-5-10(9)12-2/h6,9-10,12H,3-5H2,1-2H3
InChIKeyOCFPXYYMORTEGZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.80
Rot. Bonds4

About 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 116561494) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID116561494
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCNC1COCC1C(=O)Cc1csc(C)n1
InChIInChI=1S/C11H16N2O2S/c1-7-13-8(6-16-7)3-11(14)9-4-15-5-10(9)12-2/h6,9-10,12H,3-5H2,1-2H3
InChIKeyOCFPXYYMORTEGZ-UHFFFAOYSA-N
XLogP0.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
CID 116517016
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid
CID 163341528
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
CID 114140510
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56896056
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 116561494) is 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is CNC1COCC1C(=O)Cc1csc(C)n1.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is OCFPXYYMORTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-13-8(6-16-7)3-11(14)9-4-15-5-10(9)12-2/h6,9-10,12H,3-5H2,1-2H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 240.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 116561494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).