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

C9H13N3S2 — CID 71925335

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESC1CN(c2nc(C3CC3)ns2)CCS1
InChIInChI=1S/C9H13N3S2/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2
InChIKeyRBJPYEYIJAAFQD-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.97
Rot. Bonds2

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

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 71925335) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID71925335
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESC1CN(c2nc(C3CC3)ns2)CCS1
InChIInChI=1S/C9H13N3S2/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2
InChIKeyRBJPYEYIJAAFQD-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 71925335) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine is C1CN(c2nc(C3CC3)ns2)CCS1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is RBJPYEYIJAAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/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)thiomorpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 227.36 g/mol, XLogP of 1.97, 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)thiomorpholine is sourced from PubChem (CID 71925335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).