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

C9H15N3OS2 — CID 60588498

IUPAC4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCC(C)Sc1nnc(N2CCOCC2)s1
InChIInChI=1S/C9H15N3OS2/c1-7(2)14-9-11-10-8(15-9)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyHWZZXAFATGDDKW-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.88
Rot. Bonds3

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

4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 60588498) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID60588498
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCC(C)Sc1nnc(N2CCOCC2)s1
InChIInChI=1S/C9H15N3OS2/c1-7(2)14-9-11-10-8(15-9)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyHWZZXAFATGDDKW-UHFFFAOYSA-N
XLogP1.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (CID 60588498) is 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is CC(C)Sc1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is HWZZXAFATGDDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-7(2)14-9-11-10-8(15-9)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 245.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 60588498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).