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

C9H14N2O2S — CID 106379936

IUPAC4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCOC2)cs1
InChIInChI=1S/C9H14N2O2S/c12-9-11-8(6-14-9)4-10-3-7-1-2-13-5-7/h6-7,10H,1-5H2,(H,11,12)
InChIKeyFWGHSLWVRPHWBW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.56
Rot. Bonds4

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

4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379936) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379936
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCOC2)cs1
InChIInChI=1S/C9H14N2O2S/c12-9-11-8(6-14-9)4-10-3-7-1-2-13-5-7/h6-7,10H,1-5H2,(H,11,12)
InChIKeyFWGHSLWVRPHWBW-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(oxolan-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379701
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380089
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853
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-(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-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379936) is 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCOC2)cs1.
What is the InChIKey of 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FWGHSLWVRPHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-9-11-8(6-14-9)4-10-3-7-1-2-13-5-7/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).