N-(5-chloro-2,1-benzothiazol-3-yl)acetamide

C9H7ClN2OS — CID 15586288

IUPACN-(5-chloro-2,1-benzothiazol-3-yl)acetamide
SMILESCC(=O)Nc1snc2ccc(Cl)cc12
InChIInChI=1S/C9H7ClN2OS/c1-5(13)11-9-7-4-6(10)2-3-8(7)12-14-9/h2-4H,1H3,(H,11,13)
InChIKeyNDQCLZBDMKRDBW-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.91
Rot. Bonds1

About N-(5-chloro-2,1-benzothiazol-3-yl)acetamide

N-(5-chloro-2,1-benzothiazol-3-yl)acetamide (PubChem CID 15586288) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is N-(5-chloro-2,1-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,1-benzothiazol-3-yl)acetamide
PubChem CID15586288
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC NameN-(5-chloro-2,1-benzothiazol-3-yl)acetamide
SMILESCC(=O)Nc1snc2ccc(Cl)cc12
InChIInChI=1S/C9H7ClN2OS/c1-5(13)11-9-7-4-6(10)2-3-8(7)12-14-9/h2-4H,1H3,(H,11,13)
InChIKeyNDQCLZBDMKRDBW-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2,1-benzothiazol-3-amine
CID 15586287
2-Chloro-N-(5-methyl-2,1-benzisothiazol-3-yl)acetamide
CID 13497332
2,2-Dichloro-N-(5-methyl-2,1-benzisothiazol-3-yl)acetamide
CID 13497333
2,2,2-Trichloro-N-(5-methyl-2,1-benzisothiazol-3-yl)acetamide
CID 13497334
2-Chloro-N-(5-chloro-2,1-benzisothiazol-3-yl)acetamide
CID 15586289
N-(2,1-Benzisothiazol-3-yl)acetamide
CID 16205073
N-(2,1-Benzisothiazole-3-yl)-2-chloroacetamide
CID 16205187
N-(2,1-Benzisothiazol-3-yl)-3-chloro-N-propylpropanamide
CID 16205209
2-Chloro-N-(6-chloro-2,1-benzisothiazol-3-yl)acetamide
CID 16206207
N-(5-Methyl-2,1-benzisothiazol-3-yl)propanamide
CID 13497335
N-(5-Methyl-2,1-benzisothiazol-3-yl)butanamide
CID 13497336
N-(5-Chloro-2,1-benzisothiazol-3-yl)butanamide
CID 15586291

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2,1-benzothiazol-3-yl)acetamide (CID 15586288) is N-(5-chloro-2,1-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,1-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,1-benzothiazol-3-yl)acetamide is CC(=O)Nc1snc2ccc(Cl)cc12.
What is the InChIKey of N-(5-chloro-2,1-benzothiazol-3-yl)acetamide?
The InChIKey is NDQCLZBDMKRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c1-5(13)11-9-7-4-6(10)2-3-8(7)12-14-9/h2-4H,1H3,(H,11,13).
What are the key properties of N-(5-chloro-2,1-benzothiazol-3-yl)acetamide?
N-(5-chloro-2,1-benzothiazol-3-yl)acetamide has a molecular weight of 226.69 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 15586288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).