4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one

C10H16N2O2S — CID 64534254

IUPAC4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC2CNCCO2)c1C
InChIInChI=1S/C10H16N2O2S/c1-7-8(2)15-10(13)12(7)6-9-5-11-3-4-14-9/h9,11H,3-6H2,1-2H3
InChIKeyBIVPHWOPFBGFHT-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.52
Rot. Bonds2

About 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one

4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one (PubChem CID 64534254) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one
PubChem CID64534254
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC2CNCCO2)c1C
InChIInChI=1S/C10H16N2O2S/c1-7-8(2)15-10(13)12(7)6-9-5-11-3-4-14-9/h9,11H,3-6H2,1-2H3
InChIKeyBIVPHWOPFBGFHT-UHFFFAOYSA-N
XLogP0.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one (CID 64534254) is 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one is Cc1sc(=O)n(CC2CNCCO2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is BIVPHWOPFBGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-8(2)15-10(13)12(7)6-9-5-11-3-4-14-9/h9,11H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one?
4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(morpholin-2-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 64534254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).