N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide

C13H9ClN4OS — CID 51354316

IUPACN-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(Cl)n3)cc2s1
InChIInChI=1S/C13H9ClN4OS/c1-7(19)16-13-18-9-3-2-8(4-11(9)20-13)10-5-15-6-12(14)17-10/h2-6H,1H3,(H,16,18,19)
InChIKeyOZKOKJBZFMDYSY-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.37
Rot. Bonds2

About N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 51354316) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID51354316
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC NameN-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(Cl)n3)cc2s1
InChIInChI=1S/C13H9ClN4OS/c1-7(19)16-13-18-9-3-2-8(4-11(9)20-13)10-5-15-6-12(14)17-10/h2-6H,1H3,(H,16,18,19)
InChIKeyOZKOKJBZFMDYSY-UHFFFAOYSA-N
XLogP3.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 86240110
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 143757565
N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182282
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-[6-[5-[(4-methoxyphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354315
N-[6-[2-(4-fluorophenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182427
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835
cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
CID 134203882
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 134203780

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 51354316) is N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cncc(Cl)n3)cc2s1.
What is the InChIKey of N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is OZKOKJBZFMDYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c1-7(19)16-13-18-9-3-2-8(4-11(9)20-13)10-5-15-6-12(14)17-10/h2-6H,1H3,(H,16,18,19).
What are the key properties of N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 304.76 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 51354316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).