2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one

C10H16N2O2S — CID 130500921

IUPAC2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one
SMILESCN(CC1CCOCC1)C1=NC(=O)CS1
InChIInChI=1S/C10H16N2O2S/c1-12(10-11-9(13)7-15-10)6-8-2-4-14-5-3-8/h8H,2-7H2,1H3
InChIKeyOELOQSSUKMDLSE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.97
Rot. Bonds2

About 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one

2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one (PubChem CID 130500921) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one
PubChem CID130500921
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one
SMILESCN(CC1CCOCC1)C1=NC(=O)CS1
InChIInChI=1S/C10H16N2O2S/c1-12(10-11-9(13)7-15-10)6-8-2-4-14-5-3-8/h8H,2-7H2,1H3
InChIKeyOELOQSSUKMDLSE-UHFFFAOYSA-N
XLogP0.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one?
The IUPAC name of 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one (CID 130500921) is 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one?
The canonical SMILES for 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one is CN(CC1CCOCC1)C1=NC(=O)CS1.
What is the InChIKey of 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one?
The InChIKey is OELOQSSUKMDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-12(10-11-9(13)7-15-10)6-8-2-4-14-5-3-8/h8H,2-7H2,1H3.
What are the key properties of 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one?
2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one has a molecular weight of 228.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-4-one is sourced from PubChem (CID 130500921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).