2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

C14H17ClN4OS — CID 79322232

IUPAC2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESNC1CCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C14H17ClN4OS/c15-9-1-2-11-12(7-9)21-14(17-11)18-13(20)8-19-5-3-10(16)4-6-19/h1-2,7,10H,3-6,8,16H2,(H,17,18,20)
InChIKeyPKVHPDQALBJXDQ-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 79322232) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
PubChem CID79322232
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESNC1CCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C14H17ClN4OS/c15-9-1-2-11-12(7-9)21-14(17-11)18-13(20)8-19-5-3-10(16)4-6-19/h1-2,7,10H,3-6,8,16H2,(H,17,18,20)
InChIKeyPKVHPDQALBJXDQ-UHFFFAOYSA-N
XLogP2.31
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686662
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686818
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
2-(azepan-1-yl)-N-[6-[(4-chlorophenyl)methylamino]-1,3-benzothiazol-2-yl]acetamide
CID 156597390
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
CID 110162519
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 24674567
2-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 171668780

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (CID 79322232) is 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is NC1CCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PKVHPDQALBJXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c15-9-1-2-11-12(7-9)21-14(17-11)18-13(20)8-19-5-3-10(16)4-6-19/h1-2,7,10H,3-6,8,16H2,(H,17,18,20).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 324.84 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 79322232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).