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

C6H8ClN3OS — CID 174874071

IUPAC3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine
SMILESClc1nsnc1C1COCCN1
InChIInChI=1S/C6H8ClN3OS/c7-6-5(9-12-10-6)4-3-11-2-1-8-4/h4,8H,1-3H2
InChIKeyIUHLVZXCTBMINQ-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.85
Rot. Bonds1

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

3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 174874071) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID174874071
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine
SMILESClc1nsnc1C1COCCN1
InChIInChI=1S/C6H8ClN3OS/c7-6-5(9-12-10-6)4-3-11-2-1-8-4/h4,8H,1-3H2
InChIKeyIUHLVZXCTBMINQ-UHFFFAOYSA-N
XLogP0.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine (CID 174874071) is 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine is Clc1nsnc1C1COCCN1.
What is the InChIKey of 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is IUHLVZXCTBMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c7-6-5(9-12-10-6)4-3-11-2-1-8-4/h4,8H,1-3H2.
What are the key properties of 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine?
3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 205.67 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 174874071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).