2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide

C15H19N3OS — CID 67452528

IUPAC2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(C(C(N)=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-18-8-6-10(7-9-18)13(14(16)19)15-17-11-4-2-3-5-12(11)20-15/h2-5,10,13H,6-9H2,1H3,(H2,16,19)
InChIKeyYVNJZOPKUATHHW-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.21
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide

2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 67452528) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID67452528
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(C(C(N)=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-18-8-6-10(7-9-18)13(14(16)19)15-17-11-4-2-3-5-12(11)20-15/h2-5,10,13H,6-9H2,1H3,(H2,16,19)
InChIKeyYVNJZOPKUATHHW-UHFFFAOYSA-N
XLogP2.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 67452508
2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
CID 67455232
2-[(2,6-difluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1,3-benzothiazole;oxalic acid
CID 159864717
2-[(4-chloro-2,6-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1,3-benzothiazole;oxalic acid
CID 160729828
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
1-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383182
3-[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]propanoic acid
CID 123186687
2-methyl-1,3-benzothiazole;urea
CID 161197769
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol
CID 66835897
2-[(3-fluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1,3-benzothiazole
CID 56949197

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide (CID 67452528) is 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(C(C(N)=O)c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is YVNJZOPKUATHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-8-6-10(7-9-18)13(14(16)19)15-17-11-4-2-3-5-12(11)20-15/h2-5,10,13H,6-9H2,1H3,(H2,16,19).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide?
2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 67452528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).