N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide

C22H26N4OS — CID 156597578

IUPACN-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCc1ccc(CNc2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cc1
InChIInChI=1S/C22H26N4OS/c1-16-5-7-17(8-6-16)14-23-18-9-10-19-20(13-18)28-22(24-19)25-21(27)15-26-11-3-2-4-12-26/h5-10,13,23H,2-4,11-12,14-15H2,1H3,(H,24,25,27)
InChIKeyYKIUPAGFMUWLKN-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.64
Rot. Bonds6

About N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide

N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 156597578) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID156597578
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCc1ccc(CNc2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cc1
InChIInChI=1S/C22H26N4OS/c1-16-5-7-17(8-6-16)14-23-18-9-10-19-20(13-18)28-22(24-19)25-21(27)15-26-11-3-2-4-12-26/h5-10,13,23H,2-4,11-12,14-15H2,1H3,(H,24,25,27)
InChIKeyYKIUPAGFMUWLKN-UHFFFAOYSA-N
XLogP4.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-[6-[(4-chlorophenyl)methylamino]-1,3-benzothiazol-2-yl]acetamide
CID 156597390
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6472660
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 30485980
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16545610
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560800
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7663227
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide (CID 156597578) is N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide is Cc1ccc(CNc2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cc1.
What is the InChIKey of N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is YKIUPAGFMUWLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-16-5-7-17(8-6-16)14-23-18-9-10-19-20(13-18)28-22(24-19)25-21(27)15-26-11-3-2-4-12-26/h5-10,13,23H,2-4,11-12,14-15H2,1H3,(H,24,25,27).
What are the key properties of N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 394.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 156597578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).