N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide

C13H15ClN4OS — CID 43130620

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H15ClN4OS/c14-9-1-2-10-11(7-9)20-13(16-10)17-12(19)8-18-5-3-15-4-6-18/h1-2,7,15H,3-6,8H2,(H,16,17,19)
InChIKeyRCLLBWTWAPWAST-UHFFFAOYSA-N
MW310.81 g/mol
LogP1.79
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 43130620) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
PubChem CID43130620
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H15ClN4OS/c14-9-1-2-10-11(7-9)20-13(16-10)17-12(19)8-18-5-3-15-4-6-18/h1-2,7,15H,3-6,8H2,(H,16,17,19)
InChIKeyRCLLBWTWAPWAST-UHFFFAOYSA-N
XLogP1.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
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)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686662
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
2-(azepan-1-yl)-N-[6-[(4-chlorophenyl)methylamino]-1,3-benzothiazol-2-yl]acetamide
CID 156597390
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 24674567

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide (CID 43130620) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is RCLLBWTWAPWAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c14-9-1-2-10-11(7-9)20-13(16-10)17-12(19)8-18-5-3-15-4-6-18/h1-2,7,15H,3-6,8H2,(H,16,17,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 310.81 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43130620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).