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

C9H15N3O2S — CID 106381722

IUPAC4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1COCC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c10-8-4-14-3-6(8)1-11-2-7-5-15-9(13)12-7/h5-6,8,11H,1-4,10H2,(H,12,13)
InChIKeyITMBBRBWPHFPAB-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.50
Rot. Bonds4

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

4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381722) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381722
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1COCC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c10-8-4-14-3-6(8)1-11-2-7-5-15-9(13)12-7/h5-6,8,11H,1-4,10H2,(H,12,13)
InChIKeyITMBBRBWPHFPAB-UHFFFAOYSA-N
XLogP-0.50
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminooxolan-3-yl)-3H-1,3-thiazol-2-one
CID 103113154
4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379701
4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379936
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089
4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380212
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381258
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381337
4-[[[4-(ethylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381758
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381722) is 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is NC1COCC1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ITMBBRBWPHFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-8-4-14-3-6(8)1-11-2-7-5-15-9(13)12-7/h5-6,8,11H,1-4,10H2,(H,12,13).
What are the key properties of 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.30 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).