4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O3S — CID 106380549

IUPAC4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)OCC(NCc2csc(=O)[nH]2)CO1
InChIInChI=1S/C10H16N2O3S/c1-10(2)14-4-8(5-15-10)11-3-7-6-16-9(13)12-7/h6,8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyXWGTZHMASJZSGG-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.68
Rot. Bonds3

About 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380549) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380549
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)OCC(NCc2csc(=O)[nH]2)CO1
InChIInChI=1S/C10H16N2O3S/c1-10(2)14-4-8(5-15-10)11-3-7-6-16-9(13)12-7/h6,8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyXWGTZHMASJZSGG-UHFFFAOYSA-N
XLogP0.68
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380549) is 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1(C)OCC(NCc2csc(=O)[nH]2)CO1.
What is the InChIKey of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XWGTZHMASJZSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(2)14-4-8(5-15-10)11-3-7-6-16-9(13)12-7/h6,8,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 244.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).