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

C10H16N2O2S — CID 106380087

IUPAC4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCOC2)cs1
InChIInChI=1S/C10H16N2O2S/c13-10-12-9(7-15-10)5-11-4-8-2-1-3-14-6-8/h7-8,11H,1-6H2,(H,12,13)
InChIKeyPSNXIDFNNKJHNN-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.95
Rot. Bonds4

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

4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380087) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380087
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCOC2)cs1
InChIInChI=1S/C10H16N2O2S/c13-10-12-9(7-15-10)5-11-4-8-2-1-3-14-6-8/h7-8,11H,1-6H2,(H,12,13)
InChIKeyPSNXIDFNNKJHNN-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-[(oxan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380047
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380329
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381764
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-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380087) is 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCOC2)cs1.
What is the InChIKey of 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PSNXIDFNNKJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-10-12-9(7-15-10)5-11-4-8-2-1-3-14-6-8/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(oxan-3-ylmethylamino)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-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).