4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one

C8H12N2O2S — CID 103113158

IUPAC4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one
SMILESNC1(c2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C8H12N2O2S/c9-8(1-3-12-4-2-8)6-5-13-7(11)10-6/h5H,1-4,9H2,(H,10,11)
InChIKeyRGJIYBJSJLZMPP-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.40
Rot. Bonds1

About 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one

4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one (PubChem CID 103113158) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one
PubChem CID103113158
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one
SMILESNC1(c2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C8H12N2O2S/c9-8(1-3-12-4-2-8)6-5-13-7(11)10-6/h5H,1-4,9H2,(H,10,11)
InChIKeyRGJIYBJSJLZMPP-UHFFFAOYSA-N
XLogP0.40
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one (CID 103113158) is 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one is NC1(c2csc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one?
The InChIKey is RGJIYBJSJLZMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-8(1-3-12-4-2-8)6-5-13-7(11)10-6/h5H,1-4,9H2,(H,10,11).
What are the key properties of 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one?
4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one has a molecular weight of 200.26 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminooxan-4-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).