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

C10H16N2O2S — CID 106380092

IUPAC4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C10H16N2O2S/c1-7-4-8(2-3-14-7)11-5-9-6-15-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyYHYJFCSPHGKAFI-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.09
Rot. Bonds3

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

4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380092) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380092
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CC(NCc2csc(=O)[nH]2)CCO1
InChIInChI=1S/C10H16N2O2S/c1-7-4-8(2-3-14-7)11-5-9-6-15-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyYHYJFCSPHGKAFI-UHFFFAOYSA-N
XLogP1.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380092) is 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1CC(NCc2csc(=O)[nH]2)CCO1.
What is the InChIKey of 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YHYJFCSPHGKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-4-8(2-3-14-7)11-5-9-6-15-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).