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

C7H11N3S2 — CID 58792113

IUPAC4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCc1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3S2/c1-6-8-7(12-9-6)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyFFRRQRJRMJOVHZ-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.40
Rot. Bonds1

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

4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 58792113) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID58792113
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCc1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3S2/c1-6-8-7(12-9-6)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyFFRRQRJRMJOVHZ-UHFFFAOYSA-N
XLogP1.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 58792113) is 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine is Cc1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is FFRRQRJRMJOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-6-8-7(12-9-6)10-2-4-11-5-3-10/h2-5H2,1H3.
What are the key properties of 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 201.32 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 58792113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).