3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine

C10H18N4OS — CID 43664029

IUPAC3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCN1CCOCC1
InChIInChI=1S/C10H18N4OS/c1(3-14-4-6-15-7-5-14)2-11-8-10-9-16-13-12-10/h9,11H,1-8H2
InChIKeyGBHVPZDLUMUHFN-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.35
Rot. Bonds6

About 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664029) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664029
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCN1CCOCC1
InChIInChI=1S/C10H18N4OS/c1(3-14-4-6-15-7-5-14)2-11-8-10-9-16-13-12-10/h9,11H,1-8H2
InChIKeyGBHVPZDLUMUHFN-UHFFFAOYSA-N
XLogP0.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.35
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 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664029) is 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is c1snnc1CNCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is GBHVPZDLUMUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1(3-14-4-6-15-7-5-14)2-11-8-10-9-16-13-12-10/h9,11H,1-8H2.
What are the key properties of 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 242.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).