N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

C20H26N4O3S — CID 78817443

IUPACN-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H26N4O3S/c1-27-12-7-21-18(25)14-23-8-10-24(11-9-23)19(26)13-17-15-28-20(22-17)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,21,25)
InChIKeyZHAYJXNBGYYKTP-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.26
Rot. Bonds8

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

N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 78817443) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID78817443
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H26N4O3S/c1-27-12-7-21-18(25)14-23-8-10-24(11-9-23)19(26)13-17-15-28-20(22-17)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,21,25)
InChIKeyZHAYJXNBGYYKTP-UHFFFAOYSA-N
XLogP1.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 55516393
N-benzyl-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 30457204
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969
N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 55429014
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
N-(1-methoxypropan-2-yl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049511
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 55452896
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 55585106

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (CID 78817443) is N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is ZHAYJXNBGYYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-27-12-7-21-18(25)14-23-8-10-24(11-9-23)19(26)13-17-15-28-20(22-17)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,21,25).
What are the key properties of N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78817443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).