2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide

C22H26N4O3S — CID 30863551

IUPAC2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2cc1OC
InChIInChI=1S/C22H26N4O3S/c1-28-18-12-17-20(13-19(18)29-2)30-22(23-17)24-21(27)15-26-10-8-25(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,24,27)
InChIKeyNLYSMENYDNSHPQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 30863551) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID30863551
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2cc1OC
InChIInChI=1S/C22H26N4O3S/c1-28-18-12-17-20(13-19(18)29-2)30-22(23-17)24-21(27)15-26-10-8-25(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,24,27)
InChIKeyNLYSMENYDNSHPQ-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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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7543023
2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15180013
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46690058
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 30485980
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112769547
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide (CID 30863551) is 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide is COc1cc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2cc1OC.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is NLYSMENYDNSHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-18-12-17-20(13-19(18)29-2)30-22(23-17)24-21(27)15-26-10-8-25(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,24,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-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 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 30863551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).