2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide

About 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide

2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide (PubChem CID 50772483) has the molecular formula C24H36FN7OS and a molecular weight of 489.67 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name	2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide
PubChem CID	50772483
Molecular Formula	C24H36FN7OS
Molecular Weight	489.67 g/mol
Exact Mass	489.27
IUPAC Name	2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide
SMILES	CCN(CC)CCCNC(=O)CN(C)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1
InChI	InChI=1S/C24H36FN7OS/c1-7-31(8-2)14-10-13-26-19(33)16-30(6)23-29-32-21(28-24(3,4)5)20(27-22(32)34-23)17-11-9-12-18(25)15-17/h9,11-12,15,28H,7-8,10,13-14,16H2,1-6H3,(H,26,33)
InChIKey	QNFUGKGQIMMNCD-UHFFFAOYSA-N
XLogP	4.09
TPSA	77.80 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.67
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide?

The IUPAC name of 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide (CID 50772483) is 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide.

What is the SMILES notation for 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide?

The canonical SMILES for 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide is CCN(CC)CCCNC(=O)CN(C)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1.

What is the InChIKey of 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide?

The InChIKey is QNFUGKGQIMMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN7OS/c1-7-31(8-2)14-10-13-26-19(33)16-30(6)23-29-32-21(28-24(3,4)5)20(27-22(32)34-23)17-11-9-12-18(25)15-17/h9,11-12,15,28H,7-8,10,13-14,16H2,1-6H3,(H,26,33).

What are the key properties of 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide?

2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide has a molecular weight of 489.67 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-(diethylamino)propyl]acetamide is sourced from PubChem (CID 50772483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).