4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine

C10H15N3OS — CID 71861559

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H15N3OS/c1-7-6-14-5-4-13(7)10-11-9(12-15-10)8-2-3-8/h7-8H,2-6H2,1H3
InChIKeyHZCBNLSMGVSKFP-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.64
Rot. Bonds2

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine (PubChem CID 71861559) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
PubChem CID71861559
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H15N3OS/c1-7-6-14-5-4-13(7)10-11-9(12-15-10)8-2-3-8/h7-8H,2-6H2,1H3
InChIKeyHZCBNLSMGVSKFP-UHFFFAOYSA-N
XLogP1.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine (CID 71861559) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine is CC1COCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine?
The InChIKey is HZCBNLSMGVSKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-6-14-5-4-13(7)10-11-9(12-15-10)8-2-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine has a molecular weight of 225.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine is sourced from PubChem (CID 71861559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).