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

C9H14N2O2S — CID 106379957

IUPAC4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCO2)cs1
InChIInChI=1S/C9H14N2O2S/c12-9-11-7(6-14-9)4-10-5-8-2-1-3-13-8/h6,8,10H,1-5H2,(H,11,12)
InChIKeyPQKKOLJEHNKAJP-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.70
Rot. Bonds4

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

4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379957) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379957
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCO2)cs1
InChIInChI=1S/C9H14N2O2S/c12-9-11-7(6-14-9)4-10-5-8-2-1-3-13-8/h6,8,10H,1-5H2,(H,11,12)
InChIKeyPQKKOLJEHNKAJP-UHFFFAOYSA-N
XLogP0.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 127676190
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18160240
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089
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-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380236
4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380813
4-[[2-(oxolan-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380854
4-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380916
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-[[(2-hydroxycyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381052

Frequently Asked Questions

What is the IUPAC name of 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379957) is 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCO2)cs1.
What is the InChIKey of 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PQKKOLJEHNKAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-9-11-7(6-14-9)4-10-5-8-2-1-3-13-8/h6,8,10H,1-5H2,(H,11,12).
What are the key properties of 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).