4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine

C11H18ClN3OS — CID 102743571

IUPAC4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(Cc2nnc(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C11H18ClN3OS/c1-10(2)6-15(7-11(3,4)16-10)5-8-13-14-9(12)17-8/h5-7H2,1-4H3
InChIKeyXXGWLEABTRROLX-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.58
Rot. Bonds2

About 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine

4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 102743571) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
PubChem CID102743571
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(Cc2nnc(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C11H18ClN3OS/c1-10(2)6-15(7-11(3,4)16-10)5-8-13-14-9(12)17-8/h5-7H2,1-4H3
InChIKeyXXGWLEABTRROLX-UHFFFAOYSA-N
XLogP2.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine (CID 102743571) is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine is CC1(C)CN(Cc2nnc(Cl)s2)CC(C)(C)O1.
What is the InChIKey of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is XXGWLEABTRROLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-10(2)6-15(7-11(3,4)16-10)5-8-13-14-9(12)17-8/h5-7H2,1-4H3.
What are the key properties of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine?
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 275.81 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102743571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).