4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine

C6H8ClN3OS — CID 56832319

IUPAC4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine
SMILESClc1nc(N2CCOCC2)ns1
InChIInChI=1S/C6H8ClN3OS/c7-5-8-6(9-12-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyVUKCIZRKDVPTOX-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.03
Rot. Bonds1

About 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine

4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine (PubChem CID 56832319) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine
PubChem CID56832319
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine
SMILESClc1nc(N2CCOCC2)ns1
InChIInChI=1S/C6H8ClN3OS/c7-5-8-6(9-12-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyVUKCIZRKDVPTOX-UHFFFAOYSA-N
XLogP1.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine (CID 56832319) is 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine is Clc1nc(N2CCOCC2)ns1.
What is the InChIKey of 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine?
The InChIKey is VUKCIZRKDVPTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c7-5-8-6(9-12-5)10-1-3-11-4-2-10/h1-4H2.
What are the key properties of 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine?
4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine has a molecular weight of 205.67 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 56832319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).