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

C17H22N4O2S — CID 36871528

IUPACN-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C17H22N4O2S/c1-2-23-15-6-4-3-5-14(15)19-16(22)13-20-8-10-21(11-9-20)17-18-7-12-24-17/h3-7,12H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyTXYZZGNNPCBUIG-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.30
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 36871528) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID36871528
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C17H22N4O2S/c1-2-23-15-6-4-3-5-14(15)19-16(22)13-20-8-10-21(11-9-20)17-18-7-12-24-17/h3-7,12H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyTXYZZGNNPCBUIG-UHFFFAOYSA-N
XLogP2.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 90507372
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 86345330
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 17444873
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
2-[4-(2,5-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 163391607
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780537

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 36871528) is N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCN(c2nccs2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is TXYZZGNNPCBUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-23-15-6-4-3-5-14(15)19-16(22)13-20-8-10-21(11-9-20)17-18-7-12-24-17/h3-7,12H,2,8-11,13H2,1H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36871528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).