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

C9H15N3OS — CID 71866356

IUPAC4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CCOCC2)n1
InChIInChI=1S/C9H15N3OS/c1-7(2)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyIREHQCKPOBJOSK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.50
Rot. Bonds2

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

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 71866356) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID71866356
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CCOCC2)n1
InChIInChI=1S/C9H15N3OS/c1-7(2)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyIREHQCKPOBJOSK-UHFFFAOYSA-N
XLogP1.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.50
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)morpholine?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (CID 71866356) is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is CC(C)c1nsc(N2CCOCC2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is IREHQCKPOBJOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/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)morpholine?
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 213.31 g/mol, XLogP of 1.50, 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)morpholine is sourced from PubChem (CID 71866356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).