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

C11H18N2O2S — CID 106380994

IUPAC4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCC(CNCc2csc(=O)[nH]2)O1
InChIInChI=1S/C11H18N2O2S/c1-11(2)4-3-9(15-11)6-12-5-8-7-16-10(14)13-8/h7,9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyFDDMKQAHNZJNOS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.48
Rot. Bonds4

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

4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380994) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380994
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCC(CNCc2csc(=O)[nH]2)O1
InChIInChI=1S/C11H18N2O2S/c1-11(2)4-3-9(15-11)6-12-5-8-7-16-10(14)13-8/h7,9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyFDDMKQAHNZJNOS-UHFFFAOYSA-N
XLogP1.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.48
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
4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379957
4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380236
4-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381008
4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381837
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181320
4-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181400

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380994) is 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(C)CCC(CNCc2csc(=O)[nH]2)O1.
What is the InChIKey of 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FDDMKQAHNZJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2)4-3-9(15-11)6-12-5-8-7-16-10(14)13-8/h7,9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).