thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone

C10H15N3O2S — CID 47432685

IUPACthiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnns2)CC(C)(C)O1
InChIInChI=1S/C10H15N3O2S/c1-7-5-13(6-10(2,3)15-7)9(14)8-4-11-12-16-8/h4,7H,5-6H2,1-3H3
InChIKeyAGKKSHARSGMPCY-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.18
Rot. Bonds1

About thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone

thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 47432685) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Namethiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID47432685
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namethiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnns2)CC(C)(C)O1
InChIInChI=1S/C10H15N3O2S/c1-7-5-13(6-10(2,3)15-7)9(14)8-4-11-12-16-8/h4,7H,5-6H2,1-3H3
InChIKeyAGKKSHARSGMPCY-UHFFFAOYSA-N
XLogP1.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 47432685) is thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnns2)CC(C)(C)O1.
What is the InChIKey of thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is AGKKSHARSGMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-5-13(6-10(2,3)15-7)9(14)8-4-11-12-16-8/h4,7H,5-6H2,1-3H3.
What are the key properties of thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone?
thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 241.32 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-5-yl-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47432685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).