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

C24H37N7OS — CID 50772359

IUPAC2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN(C)c1nn2c(NC(C)(C)C)c(-c3ccc(C)cc3)nc2s1
InChIInChI=1S/C24H37N7OS/c1-8-30(9-2)15-14-25-19(32)16-29(7)23-28-31-21(27-24(4,5)6)20(26-22(31)33-23)18-12-10-17(3)11-13-18/h10-13,27H,8-9,14-16H2,1-7H3,(H,25,32)
InChIKeyGJDWDXHYNGAPAR-UHFFFAOYSA-N
MW471.68 g/mol
LogP3.87
Rot. Bonds10

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

2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 50772359) has the molecular formula C24H37N7OS and a molecular weight of 471.68 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID50772359
Molecular FormulaC24H37N7OS
Molecular Weight471.68 g/mol
Exact Mass471.28
IUPAC Name2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN(C)c1nn2c(NC(C)(C)C)c(-c3ccc(C)cc3)nc2s1
InChIInChI=1S/C24H37N7OS/c1-8-30(9-2)15-14-25-19(32)16-29(7)23-28-31-21(27-24(4,5)6)20(26-22(31)33-23)18-12-10-17(3)11-13-18/h10-13,27H,8-9,14-16H2,1-7H3,(H,25,32)
InChIKeyGJDWDXHYNGAPAR-UHFFFAOYSA-N
XLogP3.87
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.68
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide (CID 50772359) is 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CN(C)c1nn2c(NC(C)(C)C)c(-c3ccc(C)cc3)nc2s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is GJDWDXHYNGAPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7OS/c1-8-30(9-2)15-14-25-19(32)16-29(7)23-28-31-21(27-24(4,5)6)20(26-22(31)33-23)18-12-10-17(3)11-13-18/h10-13,27H,8-9,14-16H2,1-7H3,(H,25,32).
What are the key properties of 2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
2-[[5-(tert-butylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 471.68 g/mol, XLogP of 3.87, 10 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-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 50772359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).