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

C9H7ClN2OS — CID 959639

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKeyBCQXILHHRAEBLY-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.91
Rot. Bonds1

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

N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 959639) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)acetamide
PubChem CID959639
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKeyBCQXILHHRAEBLY-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

2-Benzothiazolamine, 4-chloro-
CID 29872
6-Chloro-2-benzothiazolamine
CID 7226
Benzthiazuron
CID 16007
5-Chloro-2-benzothiazolamine
CID 30120
Bentaluron
CID 4408229
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
2-(Acetoacetamido)benzothiazole
CID 20820
N-2-Benzothiazolyl-N'-butylurea
CID 99178
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (CID 959639) is N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BCQXILHHRAEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-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-(6-chloro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 959639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).