4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106380236

IUPAC4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(CNCc2csc(=O)[nH]2)O1
InChIInChI=1S/C10H16N2O2S/c1-7-2-3-9(14-7)5-11-4-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeyRNWODSIJCVFNLK-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.09
Rot. Bonds4

About 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380236) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380236
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(CNCc2csc(=O)[nH]2)O1
InChIInChI=1S/C10H16N2O2S/c1-7-2-3-9(14-7)5-11-4-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeyRNWODSIJCVFNLK-UHFFFAOYSA-N
XLogP1.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18160240
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 34749787
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 34749792
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 45796433
4-[[(2-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379723
4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379957
4-[[(2-methyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380115
4-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380122
4-[[2-(oxolan-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380854
4-[(oxan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380921
4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380994
4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381008

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380236) is 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1CCC(CNCc2csc(=O)[nH]2)O1.
What is the InChIKey of 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RNWODSIJCVFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-2-3-9(14-7)5-11-4-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).