N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C24H21ClN4O2S — CID 55727246

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cc(Cl)ccc1C(=O)N1CCCC1
InChIInChI=1S/C24H21ClN4O2S/c25-17-8-9-19(23(31)28-10-4-5-11-28)20(12-17)26-22(30)13-18-15-32-24-27-21(14-29(18)24)16-6-2-1-3-7-16/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,26,30)
InChIKeyZEWMQJBPDHZRHU-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.13
Rot. Bonds5

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 55727246) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID55727246
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cc(Cl)ccc1C(=O)N1CCCC1
InChIInChI=1S/C24H21ClN4O2S/c25-17-8-9-19(23(31)28-10-4-5-11-28)20(12-17)26-22(30)13-18-15-32-24-27-21(14-29(18)24)16-6-2-1-3-7-16/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,26,30)
InChIKeyZEWMQJBPDHZRHU-UHFFFAOYSA-N
XLogP5.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147502
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34277605
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 39724030
N-(2,4-dichlorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038733
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25352341
N-(2-methyl-5-methylsulfonylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34194468
N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122753
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 55727246) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cc(Cl)ccc1C(=O)N1CCCC1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is ZEWMQJBPDHZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-17-8-9-19(23(31)28-10-4-5-11-28)20(12-17)26-22(30)13-18-15-32-24-27-21(14-29(18)24)16-6-2-1-3-7-16/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,26,30).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 464.98 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 55727246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).