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

C16H20N4O2S — CID 6462201

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1
InChIInChI=1S/C16H20N4O2S/c1-22-14-4-2-3-13(11-14)20-8-6-19(7-9-20)12-15(21)18-16-17-5-10-23-16/h2-5,10-11H,6-9,12H2,1H3,(H,17,18,21)
InChIKeyGYRJAGZNHUUCQS-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.91
Rot. Bonds5

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

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6462201) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6462201
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1
InChIInChI=1S/C16H20N4O2S/c1-22-14-4-2-3-13(11-14)20-8-6-19(7-9-20)12-15(21)18-16-17-5-10-23-16/h2-5,10-11H,6-9,12H2,1H3,(H,17,18,21)
InChIKeyGYRJAGZNHUUCQS-UHFFFAOYSA-N
XLogP1.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 6462201) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GYRJAGZNHUUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-22-14-4-2-3-13(11-14)20-8-6-19(7-9-20)12-15(21)18-16-17-5-10-23-16/h2-5,10-11H,6-9,12H2,1H3,(H,17,18,21).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6462201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).