2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C23H26N4OS — CID 73443010

IUPAC2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)cs1
InChIInChI=1S/C23H26N4OS/c1-18-24-22(17-29-18)20-7-9-21(10-8-20)25-23(28)16-27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,28)
InChIKeyDANSGGXPZCCSQD-UHFFFAOYSA-N
MW406.56 g/mol
LogP3.87
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 73443010) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID73443010
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)cs1
InChIInChI=1S/C23H26N4OS/c1-18-24-22(17-29-18)20-7-9-21(10-8-20)25-23(28)16-27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,28)
InChIKeyDANSGGXPZCCSQD-UHFFFAOYSA-N
XLogP3.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 73443010) is 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)cs1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is DANSGGXPZCCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-18-24-22(17-29-18)20-7-9-21(10-8-20)25-23(28)16-27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,28).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 406.56 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 73443010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).