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

C6H8ClN3S2 — CID 130891349

IUPAC4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESClc1nsc(N2CCSCC2)n1
InChIInChI=1S/C6H8ClN3S2/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2
InChIKeySAFDBEMOXOERGO-UHFFFAOYSA-N
MW221.74 g/mol
LogP1.74
Rot. Bonds1

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

4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 130891349) has the molecular formula C6H8ClN3S2 and a molecular weight of 221.74 g/mol. Its IUPAC name is 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID130891349
Molecular FormulaC6H8ClN3S2
Molecular Weight221.74 g/mol
Exact Mass220.98
IUPAC Name4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESClc1nsc(N2CCSCC2)n1
InChIInChI=1S/C6H8ClN3S2/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2
InChIKeySAFDBEMOXOERGO-UHFFFAOYSA-N
XLogP1.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.74
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 58792104
3-Methylsulfinyl-5-thiomorpholino-1,2,4-thiadiazole
CID 69217583
4-(1,2,4-Thiadiazol-5-yl)thiomorpholine
CID 89385910
5-(2,6-Dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66278594
5-(1-Oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279457
5-Thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 66280349
5-(2-Methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 116323985
2-Methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 131132017

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 130891349) is 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine is Clc1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is SAFDBEMOXOERGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S2/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2.
What are the key properties of 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 221.74 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 130891349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).