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

C23H34FN7OS — CID 50772567

IUPAC2-[[5-(tert-butylamino)-6-(4-fluorophenyl)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(F)cc3)nc2s1
InChIInChI=1S/C23H34FN7OS/c1-7-30(8-2)14-13-25-18(32)15-29(6)22-28-31-20(27-23(3,4)5)19(26-21(31)33-22)16-9-11-17(24)12-10-16/h9-12,27H,7-8,13-15H2,1-6H3,(H,25,32)
InChIKeyZCBHRCGQPHQCCL-UHFFFAOYSA-N
MW475.64 g/mol
LogP3.70
Rot. Bonds10

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

2-[[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 50772567) has the molecular formula C23H34FN7OS and a molecular weight of 475.64 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-6-(4-fluorophenyl)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-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID50772567
Molecular FormulaC23H34FN7OS
Molecular Weight475.64 g/mol
Exact Mass475.25
IUPAC Name2-[[5-(tert-butylamino)-6-(4-fluorophenyl)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(F)cc3)nc2s1
InChIInChI=1S/C23H34FN7OS/c1-7-30(8-2)14-13-25-18(32)15-29(6)22-28-31-20(27-23(3,4)5)19(26-21(31)33-22)16-9-11-17(24)12-10-16/h9-12,27H,7-8,13-15H2,1-6H3,(H,25,32)
InChIKeyZCBHRCGQPHQCCL-UHFFFAOYSA-N
XLogP3.70
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 53.70
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-fluorophenyl)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-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide (CID 50772567) is 2-[[5-(tert-butylamino)-6-(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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(F)cc3)nc2s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is ZCBHRCGQPHQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN7OS/c1-7-30(8-2)14-13-25-18(32)15-29(6)22-28-31-20(27-23(3,4)5)19(26-21(31)33-22)16-9-11-17(24)12-10-16/h9-12,27H,7-8,13-15H2,1-6H3,(H,25,32).
What are the key properties of 2-[[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
2-[[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 475.64 g/mol, XLogP of 3.70, 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-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 50772567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).