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

C9H13N3OS — CID 71925342

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESC1CN(c2nc(C3CC3)ns2)CCO1
InChIInChI=1S/C9H13N3OS/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2
InChIKeyATMFATKLWSHPHI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.25
Rot. Bonds2

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

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 71925342) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID71925342
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESC1CN(c2nc(C3CC3)ns2)CCO1
InChIInChI=1S/C9H13N3OS/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2
InChIKeyATMFATKLWSHPHI-UHFFFAOYSA-N
XLogP1.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.25
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)morpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine (CID 71925342) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine is C1CN(c2nc(C3CC3)ns2)CCO1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is ATMFATKLWSHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 211.29 g/mol, XLogP of 1.25, 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)morpholine is sourced from PubChem (CID 71925342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).