5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine

C8H15N4OS+ — CID 7263663

IUPAC5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC[NH+]2CCOCC2)s1
InChIInChI=1S/C8H14N4OS/c9-8-11-10-7(14-8)1-2-12-3-5-13-6-4-12/h1-6H2,(H2,9,11)/p+1
InChIKeyWPQPFGMASYMLNI-UHFFFAOYSA-O
MW215.30 g/mol
LogP-1.42
Rot. Bonds3

About 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine

5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 7263663) has the molecular formula C8H15N4OS+ and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID7263663
Molecular FormulaC8H15N4OS+
Molecular Weight215.30 g/mol
Exact Mass215.10
IUPAC Name5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC[NH+]2CCOCC2)s1
InChIInChI=1S/C8H14N4OS/c9-8-11-10-7(14-8)1-2-12-3-5-13-6-4-12/h1-6H2,(H2,9,11)/p+1
InChIKeyWPQPFGMASYMLNI-UHFFFAOYSA-O
XLogP-1.42
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine (CID 7263663) is 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CC[NH+]2CCOCC2)s1.
What is the InChIKey of 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WPQPFGMASYMLNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N4OS/c9-8-11-10-7(14-8)1-2-12-3-5-13-6-4-12/h1-6H2,(H2,9,11)/p+1.
What are the key properties of 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7263663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).