5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C11H20N4OS2 — CID 17398234

IUPAC5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(SCCN2CCOCC2)s1
InChIInChI=1S/C11H20N4OS2/c1-9(2)12-10-13-14-11(18-10)17-8-5-15-3-6-16-7-4-15/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyHPXRIKITBMZZKC-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.78
Rot. Bonds6

About 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 17398234) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID17398234
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(SCCN2CCOCC2)s1
InChIInChI=1S/C11H20N4OS2/c1-9(2)12-10-13-14-11(18-10)17-8-5-15-3-6-16-7-4-15/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyHPXRIKITBMZZKC-UHFFFAOYSA-N
XLogP1.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 17398234) is 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(SCCN2CCOCC2)s1.
What is the InChIKey of 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is HPXRIKITBMZZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-9(2)12-10-13-14-11(18-10)17-8-5-15-3-6-16-7-4-15/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 288.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17398234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).