N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H25N7O2S — CID 67221495

IUPACN-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOCCNc1nn2cc(-c3ccc(NCCN4CCOCC4)nc3)nc2s1
InChIInChI=1S/C18H25N7O2S/c1-26-9-5-20-17-23-25-13-15(22-18(25)28-17)14-2-3-16(21-12-14)19-4-6-24-7-10-27-11-8-24/h2-3,12-13H,4-11H2,1H3,(H,19,21)(H,20,23)
InChIKeyHAXDLWNCYLSYGC-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.66
Rot. Bonds9

About N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221495) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221495
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC NameN-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOCCNc1nn2cc(-c3ccc(NCCN4CCOCC4)nc3)nc2s1
InChIInChI=1S/C18H25N7O2S/c1-26-9-5-20-17-23-25-13-15(22-18(25)28-17)14-2-3-16(21-12-14)19-4-6-24-7-10-27-11-8-24/h2-3,12-13H,4-11H2,1H3,(H,19,21)(H,20,23)
InChIKeyHAXDLWNCYLSYGC-UHFFFAOYSA-N
XLogP1.66
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221495) is N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COCCNc1nn2cc(-c3ccc(NCCN4CCOCC4)nc3)nc2s1.
What is the InChIKey of N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is HAXDLWNCYLSYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2S/c1-26-9-5-20-17-23-25-13-15(22-18(25)28-17)14-2-3-16(21-12-14)19-4-6-24-7-10-27-11-8-24/h2-3,12-13H,4-11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 403.51 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).