2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine

C9H16N4OS — CID 43663926

IUPAC2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESc1snnc1CNCCN1CCOCC1
InChIInChI=1S/C9H16N4OS/c1(2-13-3-5-14-6-4-13)10-7-9-8-15-12-11-9/h8,10H,1-7H2
InChIKeyJCBUWHYCYZCDKO-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.04
Rot. Bonds5

About 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine

2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43663926) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43663926
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESc1snnc1CNCCN1CCOCC1
InChIInChI=1S/C9H16N4OS/c1(2-13-3-5-14-6-4-13)10-7-9-8-15-12-11-9/h8,10H,1-7H2
InChIKeyJCBUWHYCYZCDKO-UHFFFAOYSA-N
XLogP-0.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43663926) is 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine is c1snnc1CNCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is JCBUWHYCYZCDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1(2-13-3-5-14-6-4-13)10-7-9-8-15-12-11-9/h8,10H,1-7H2.
What are the key properties of 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 228.32 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43663926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).