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

C10H10ClN5OS — CID 1237084

IUPAC4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESClc1cncc(-c2nnc(N3CCOCC3)s2)n1
InChIInChI=1S/C10H10ClN5OS/c11-8-6-12-5-7(13-8)9-14-15-10(18-9)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyPDAOWPOVBMQDOL-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.49
Rot. Bonds2

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

4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 1237084) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID1237084
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESClc1cncc(-c2nnc(N3CCOCC3)s2)n1
InChIInChI=1S/C10H10ClN5OS/c11-8-6-12-5-7(13-8)9-14-15-10(18-9)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyPDAOWPOVBMQDOL-UHFFFAOYSA-N
XLogP1.49
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Methylthio)-5-(6-morpholinopyrazin-2-yl)[1,3,4]thiadiazole
CID 11185531
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine (CID 1237084) is 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine is Clc1cncc(-c2nnc(N3CCOCC3)s2)n1.
What is the InChIKey of 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is PDAOWPOVBMQDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c11-8-6-12-5-7(13-8)9-14-15-10(18-9)16-1-3-17-4-2-16/h5-6H,1-4H2.
What are the key properties of 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 283.74 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-chloropyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 1237084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).