3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one

C8H10ClN3O2S — CID 102188274

IUPAC3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one
SMILESCN1COCN(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C8H10ClN3O2S/c1-11-4-14-5-12(8(11)13)3-6-2-10-7(9)15-6/h2H,3-5H2,1H3
InChIKeyASRURCPAEIJLEJ-UHFFFAOYSA-N
MW247.71 g/mol
LogP1.60
Rot. Bonds2

About 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one

3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one (PubChem CID 102188274) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one
PubChem CID102188274
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one
SMILESCN1COCN(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C8H10ClN3O2S/c1-11-4-14-5-12(8(11)13)3-6-2-10-7(9)15-6/h2H,3-5H2,1H3
InChIKeyASRURCPAEIJLEJ-UHFFFAOYSA-N
XLogP1.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one (CID 102188274) is 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one is CN1COCN(Cc2cnc(Cl)s2)C1=O.
What is the InChIKey of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one?
The InChIKey is ASRURCPAEIJLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c1-11-4-14-5-12(8(11)13)3-6-2-10-7(9)15-6/h2H,3-5H2,1H3.
What are the key properties of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one?
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one has a molecular weight of 247.71 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 102188274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).