N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C22H26N4O3S — CID 134132604

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-28-17-5-3-16(4-6-17)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(29-2)13-20(19)30-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
InChIKeyFLKQAGAXTWXTPK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.07
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 134132604) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID134132604
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-28-17-5-3-16(4-6-17)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(29-2)13-20(19)30-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
InChIKeyFLKQAGAXTWXTPK-UHFFFAOYSA-N
XLogP3.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 134132604) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FLKQAGAXTWXTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-17-5-3-16(4-6-17)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(29-2)13-20(19)30-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134132604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).