2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C24H27N3O2S — CID 16590997

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1
InChIInChI=1S/C24H27N3O2S/c1-2-29-22-9-5-4-8-21(22)24-26-19(17-30-24)16-23(28)25-18-10-12-20(13-11-18)27-14-6-3-7-15-27/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,25,28)
InChIKeyXTDSFCYFMXBALP-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.38
Rot. Bonds7

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 16590997) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID16590997
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1
InChIInChI=1S/C24H27N3O2S/c1-2-29-22-9-5-4-8-21(22)24-26-19(17-30-24)16-23(28)25-18-10-12-20(13-11-18)27-14-6-3-7-15-27/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,25,28)
InChIKeyXTDSFCYFMXBALP-UHFFFAOYSA-N
XLogP5.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16595528
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 16592277
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16597485
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16601162
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55810984
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55494109

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 16590997) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is XTDSFCYFMXBALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-2-29-22-9-5-4-8-21(22)24-26-19(17-30-24)16-23(28)25-18-10-12-20(13-11-18)27-14-6-3-7-15-27/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,25,28).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 16590997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).