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

C9H15N3S2 — CID 71866341

IUPAC4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC(C)c1nsc(N2CCSCC2)n1
InChIInChI=1S/C9H15N3S2/c1-7(2)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyKEOVXKPUFFWBQW-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.21
Rot. Bonds2

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

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 71866341) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID71866341
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC(C)c1nsc(N2CCSCC2)n1
InChIInChI=1S/C9H15N3S2/c1-7(2)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyKEOVXKPUFFWBQW-UHFFFAOYSA-N
XLogP2.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 71866341) is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine is CC(C)c1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is KEOVXKPUFFWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-7(2)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 229.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 71866341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).