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

C10H17N3O2S — CID 106381904

IUPAC4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1(CNCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H17N3O2S/c11-10(1-3-15-4-2-10)7-12-5-8-6-16-9(14)13-8/h6,12H,1-5,7,11H2,(H,13,14)
InChIKeyVHJDPKUPFLENOM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.03
Rot. Bonds4

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

4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381904) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381904
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1(CNCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H17N3O2S/c11-10(1-3-15-4-2-10)7-12-5-8-6-16-9(14)13-8/h6,12H,1-5,7,11H2,(H,13,14)
InChIKeyVHJDPKUPFLENOM-UHFFFAOYSA-N
XLogP0.03
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one
CID 103113158
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-[(oxan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380047
4-[(oxan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380087
4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[(oxan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380522
4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381764
4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381776
4-[[(3-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381865
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 113357250

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381904) is 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is NC1(CNCc2csc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VHJDPKUPFLENOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c11-10(1-3-15-4-2-10)7-12-5-8-6-16-9(14)13-8/h6,12H,1-5,7,11H2,(H,13,14).
What are the key properties of 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 243.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).