2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C24H25FN6O2S — CID 60538090

IUPAC2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1
InChIInChI=1S/C24H25FN6O2S/c1-33-20-4-2-3-17(13-20)14-26-22(32)16-29-9-11-30(12-10-29)24-28-31-15-21(27-23(31)34-24)18-5-7-19(25)8-6-18/h2-8,13,15H,9-12,14,16H2,1H3,(H,26,32)
InChIKeyAQKXPYGQDNAHFH-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.04
Rot. Bonds7

About 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 60538090) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID60538090
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1
InChIInChI=1S/C24H25FN6O2S/c1-33-20-4-2-3-17(13-20)14-26-22(32)16-29-9-11-30(12-10-29)24-28-31-15-21(27-23(31)34-24)18-5-7-19(25)8-6-18/h2-8,13,15H,9-12,14,16H2,1H3,(H,26,32)
InChIKeyAQKXPYGQDNAHFH-UHFFFAOYSA-N
XLogP3.04
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[(2,3-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907112
[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133279942
2-amino-1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119860737
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
6-(4-fluorophenyl)-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 55917158
2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053896
2-[4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 25468496
5-iodo-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxylic acid
CID 166720894
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 60538090) is 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1.
What is the InChIKey of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is AQKXPYGQDNAHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-33-20-4-2-3-17(13-20)14-26-22(32)16-29-9-11-30(12-10-29)24-28-31-15-21(27-23(31)34-24)18-5-7-19(25)8-6-18/h2-8,13,15H,9-12,14,16H2,1H3,(H,26,32).
What are the key properties of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 480.57 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60538090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).