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

C10H16ClN3OS — CID 80609971

IUPAC4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(Cc2nnc(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C10H16ClN3OS/c1-7-4-14(6-10(2,3)15-7)5-8-12-13-9(11)16-8/h7H,4-6H2,1-3H3
InChIKeyLIYHRYJHIJEZOK-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.19
Rot. Bonds2

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

4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine (PubChem CID 80609971) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine
PubChem CID80609971
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(Cc2nnc(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C10H16ClN3OS/c1-7-4-14(6-10(2,3)15-7)5-8-12-13-9(11)16-8/h7H,4-6H2,1-3H3
InChIKeyLIYHRYJHIJEZOK-UHFFFAOYSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.19
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-trimethylmorpholine?
The IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine (CID 80609971) is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine is CC1CN(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-trimethylmorpholine?
The InChIKey is LIYHRYJHIJEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-7-4-14(6-10(2,3)15-7)5-8-12-13-9(11)16-8/h7H,4-6H2,1-3H3.
What are the key properties of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine?
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2,6-trimethylmorpholine has a molecular weight of 261.78 g/mol, XLogP of 2.19, 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-trimethylmorpholine is sourced from PubChem (CID 80609971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).