4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine

C11H13N5OS2 — CID 11185531

IUPAC4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine
SMILESCSc1nnc(-c2cncc(N3CCOCC3)n2)s1
InChIInChI=1S/C11H13N5OS2/c1-18-11-15-14-10(19-11)8-6-12-7-9(13-8)16-2-4-17-5-3-16/h6-7H,2-5H2,1H3
InChIKeyNEVQBLWRNYJDCA-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.55
Rot. Bonds3

About 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine

4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine (PubChem CID 11185531) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine
PubChem CID11185531
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC Name4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine
SMILESCSc1nnc(-c2cncc(N3CCOCC3)n2)s1
InChIInChI=1S/C11H13N5OS2/c1-18-11-15-14-10(19-11)8-6-12-7-9(13-8)16-2-4-17-5-3-16/h6-7H,2-5H2,1H3
InChIKeyNEVQBLWRNYJDCA-UHFFFAOYSA-N
XLogP1.55
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(6-Chloropyrazin-2-yl)-2-morpholino[1,3,4]thiadiazole
CID 1237084
3-Morpholino-5-(6-morpholinopyrazin-2-yl)[1,3,4]thiadiazole
CID 129786920
6-[5-(1-ethoxyethenyl)-1,3,4-thiadiazol-2-yl]-N,N-dimethylpyrazin-2-amine
CID 172105973
2-(1-Ethoxyethenyl)-5-(6-pyrrolidin-1-ylpyrazin-2-yl)-1,3,4-thiadiazole
CID 172106076
1-[5-[6-(Dimethylamino)pyrazin-2-yl]-1,3,4-thiadiazol-2-yl]ethyl methanesulfonate
CID 172106710
1-[5-[6-(Dimethylamino)pyrazin-2-yl]-1,3,4-thiadiazol-2-yl]ethanol
CID 172106922
methyl N-[(E)-[amino-(6-morpholin-4-ylpyrazin-2-yl)methylidene]amino]carbamodithioate
CID 11186047
N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide
CID 11484207
4-(5-Pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 11528910
4-[5-(6-Morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
CID 11771977
methyl N-[(Z)-[amino-(6-morpholin-4-ylpyrazin-2-yl)methylidene]amino]carbamodithioate
CID 12143484
N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide
CID 12143625

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine (CID 11185531) is 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine is CSc1nnc(-c2cncc(N3CCOCC3)n2)s1.
What is the InChIKey of 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine?
The InChIKey is NEVQBLWRNYJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-18-11-15-14-10(19-11)8-6-12-7-9(13-8)16-2-4-17-5-3-16/h6-7H,2-5H2,1H3.
What are the key properties of 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine?
4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine has a molecular weight of 295.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 11185531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).