N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide

C16H21N3OS — CID 171328526

IUPACN-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3c(C)c(C)ccc3s2)C1
InChIInChI=1S/C16H21N3OS/c1-10-6-7-14-15(11(10)2)18-16(21-14)19-8-4-5-13(9-19)17-12(3)20/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyNTXJYXCWRRWSIF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.02
Rot. Bonds2

About N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide

N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 171328526) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
PubChem CID171328526
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3c(C)c(C)ccc3s2)C1
InChIInChI=1S/C16H21N3OS/c1-10-6-7-14-15(11(10)2)18-16(21-14)19-8-4-5-13(9-19)17-12(3)20/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyNTXJYXCWRRWSIF-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
CID 171335280
[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166606166
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903709
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 146078030
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 25452095
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
CID 171327941
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981539

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide (CID 171328526) is N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2nc3c(C)c(C)ccc3s2)C1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
The InChIKey is NTXJYXCWRRWSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-6-7-14-15(11(10)2)18-16(21-14)19-8-4-5-13(9-19)17-12(3)20/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 171328526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).