5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C22H26N8OS — CID 58285375

IUPAC5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CCNc2nn3c(-c4ccc(NCCN5CCOCC5)nc4)cnc3s2)nc1
InChIInChI=1S/C22H26N8OS/c1-2-7-23-18(3-1)6-8-25-21-28-30-19(16-27-22(30)32-21)17-4-5-20(26-15-17)24-9-10-29-11-13-31-14-12-29/h1-5,7,15-16H,6,8-14H2,(H,24,26)(H,25,28)
InChIKeyJHQDYOALHARIAL-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.65
Rot. Bonds9

About 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285375) has the molecular formula C22H26N8OS and a molecular weight of 450.57 g/mol. Its IUPAC name is 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285375
Molecular FormulaC22H26N8OS
Molecular Weight450.57 g/mol
Exact Mass450.20
IUPAC Name5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CCNc2nn3c(-c4ccc(NCCN5CCOCC5)nc4)cnc3s2)nc1
InChIInChI=1S/C22H26N8OS/c1-2-7-23-18(3-1)6-8-25-21-28-30-19(16-27-22(30)32-21)17-4-5-20(26-15-17)24-9-10-29-11-13-31-14-12-29/h1-5,7,15-16H,6,8-14H2,(H,24,26)(H,25,28)
InChIKeyJHQDYOALHARIAL-UHFFFAOYSA-N
XLogP2.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285375) is 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(CCNc2nn3c(-c4ccc(NCCN5CCOCC5)nc4)cnc3s2)nc1.
What is the InChIKey of 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is JHQDYOALHARIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8OS/c1-2-7-23-18(3-1)6-8-25-21-28-30-19(16-27-22(30)32-21)17-4-5-20(26-15-17)24-9-10-29-11-13-31-14-12-29/h1-5,7,15-16H,6,8-14H2,(H,24,26)(H,25,28).
What are the key properties of 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 450.57 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).