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

C22H26N4O2S — CID 134145345

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2c1
InChIInChI=1S/C22H26N4O2S/c1-16-3-5-17(6-4-16)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(28-2)13-20(19)29-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
InChIKeyVKHWIDAPAQZSLV-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.37
Rot. Bonds6

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 134145345) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID134145345
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2c1
InChIInChI=1S/C22H26N4O2S/c1-16-3-5-17(6-4-16)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(28-2)13-20(19)29-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
InChIKeyVKHWIDAPAQZSLV-UHFFFAOYSA-N
XLogP3.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Frentizole
CID 33334
N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine
CID 91769
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
methyl N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}carbamate
CID 10279624
US10251893, Cpd 6
CID 46926811
1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 71655730
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 134145345) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is VKHWIDAPAQZSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-3-5-17(6-4-16)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(28-2)13-20(19)29-22/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-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134145345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).