2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C24H27N3OS — CID 55676989

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3ccccc3CN3CCCC3)cs2)cc1
InChIInChI=1S/C24H27N3OS/c1-2-18-9-11-19(12-10-18)24-25-21(17-29-24)15-23(28)26-22-8-4-3-7-20(22)16-27-13-5-6-14-27/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,26,28)
InChIKeyBKPZIVMZBIOLAK-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.15
Rot. Bonds7

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 55676989) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID55676989
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3ccccc3CN3CCCC3)cs2)cc1
InChIInChI=1S/C24H27N3OS/c1-2-18-9-11-19(12-10-18)24-25-21(17-29-24)15-23(28)26-22-8-4-3-7-20(22)16-27-13-5-6-14-27/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,26,28)
InChIKeyBKPZIVMZBIOLAK-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55677053
1-(4-benzyl-1,4-diazepan-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112803915
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838094
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18225445
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
CID 18275779

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 55676989) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CCc1ccc(-c2nc(CC(=O)Nc3ccccc3CN3CCCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is BKPZIVMZBIOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-2-18-9-11-19(12-10-18)24-25-21(17-29-24)15-23(28)26-22-8-4-3-7-20(22)16-27-13-5-6-14-27/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,26,28).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 405.57 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55676989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).