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

C7H10ClN3OS — CID 66523861

IUPAC4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine
SMILESClc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C7H10ClN3OS/c8-7-9-6(10-13-7)5-11-1-3-12-4-2-11/h1-5H2
InChIKeyBZEIGXZTWSCAFI-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.02
Rot. Bonds2

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

4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine (PubChem CID 66523861) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine
PubChem CID66523861
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine
SMILESClc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C7H10ClN3OS/c8-7-9-6(10-13-7)5-11-1-3-12-4-2-11/h1-5H2
InChIKeyBZEIGXZTWSCAFI-UHFFFAOYSA-N
XLogP1.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.02
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)methyl]morpholine?
The IUPAC name of 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine (CID 66523861) is 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine is Clc1nc(CN2CCOCC2)ns1.
What is the InChIKey of 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine?
The InChIKey is BZEIGXZTWSCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c8-7-9-6(10-13-7)5-11-1-3-12-4-2-11/h1-5H2.
What are the key properties of 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine?
4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine has a molecular weight of 219.70 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 66523861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).