4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106379701

IUPAC4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)C1CCOC1
InChIInChI=1S/C10H16N2O2S/c1-7(8-2-3-14-5-8)11-4-9-6-15-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyUCLYEUUDRKKBIX-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.95
Rot. Bonds4

About 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379701) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379701
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)C1CCOC1
InChIInChI=1S/C10H16N2O2S/c1-7(8-2-3-14-5-8)11-4-9-6-15-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyUCLYEUUDRKKBIX-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379936
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380225
4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381722
4-[[(2-amino-4-methoxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381753
4-[[[4-(ethylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381758
4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381764
4-[[[4-(methylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381778
4-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381791
4-[[(3-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381865
4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381899
4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381904

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379701) is 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is CC(NCc1csc(=O)[nH]1)C1CCOC1.
What is the InChIKey of 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UCLYEUUDRKKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(8-2-3-14-5-8)11-4-9-6-15-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).