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

C17H22N4O2S — CID 863792

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-13-12-24-17(18-13)19-16(22)11-20-7-9-21(10-8-20)14-3-5-15(23-2)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,18,19,22)
InChIKeyMXUDKLRFYNOHHW-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.22
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 863792) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID863792
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-13-12-24-17(18-13)19-16(22)11-20-7-9-21(10-8-20)14-3-5-15(23-2)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,18,19,22)
InChIKeyMXUDKLRFYNOHHW-UHFFFAOYSA-N
XLogP2.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Gsk417651A
CID 1096735
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-thiazole
CID 2456357
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
Ethyl 2-({[4-(4-methoxyphenyl)-1-piperazinyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 6464693
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 662484
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 163368444
N-[4-methoxyphenyl]-N-{4-[2-pyridinyl]-1,3-thiazol-2-yl}amine
CID 704395
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 741732
N-benzyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxamide
CID 1096805
N-(4-Methoxy-phenyl)-2-{4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 1447546

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 863792) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MXUDKLRFYNOHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-12-24-17(18-13)19-16(22)11-20-7-9-21(10-8-20)14-3-5-15(23-2)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 863792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).