3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide

C21H17FN4O2S — CID 24555542

IUPAC3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C21H17FN4O2S/c1-23-20(28)14-3-2-4-16(9-14)24-19(27)10-17-12-29-21-25-18(11-26(17)21)13-5-7-15(22)8-6-13/h2-9,11-12H,10H2,1H3,(H,23,28)(H,24,27)
InChIKeyOHCSIPOLCUBUCA-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.74
Rot. Bonds5

About 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide

3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 24555542) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide
PubChem CID24555542
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C21H17FN4O2S/c1-23-20(28)14-3-2-4-16(9-14)24-19(27)10-17-12-29-21-25-18(11-26(17)21)13-5-7-15(22)8-6-13/h2-9,11-12H,10H2,1H3,(H,23,28)(H,24,27)
InChIKeyOHCSIPOLCUBUCA-UHFFFAOYSA-N
XLogP3.74
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554799
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554959
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-(4-ethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575550
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552
N-(2-cyanophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038239
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53122639
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 24555377
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24555522
2-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-propylbenzamide
CID 24555467

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide (CID 24555542) is 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1.
What is the InChIKey of 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is OHCSIPOLCUBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-23-20(28)14-3-2-4-16(9-14)24-19(27)10-17-12-29-21-25-18(11-26(17)21)13-5-7-15(22)8-6-13/h2-9,11-12H,10H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide?
3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 408.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24555542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).