N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C17H20N4O2S — CID 17444873

IUPACN-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H20N4O2S/c1-13(22)14-2-4-15(5-3-14)19-16(23)12-20-7-9-21(10-8-20)17-18-6-11-24-17/h2-6,11H,7-10,12H2,1H3,(H,19,23)
InChIKeyRVVWSQKCKQVESF-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.11
Rot. Bonds5

About N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 17444873) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID17444873
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H20N4O2S/c1-13(22)14-2-4-15(5-3-14)19-16(23)12-20-7-9-21(10-8-20)17-18-6-11-24-17/h2-6,11H,7-10,12H2,1H3,(H,19,23)
InChIKeyRVVWSQKCKQVESF-UHFFFAOYSA-N
XLogP2.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017403
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 52510657
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 17444873) is N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is RVVWSQKCKQVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13(22)14-2-4-15(5-3-14)19-16(23)12-20-7-9-21(10-8-20)17-18-6-11-24-17/h2-6,11H,7-10,12H2,1H3,(H,19,23).
What are the key properties of N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17444873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).