N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide

C10H9ClN2OS — CID 2150683

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C10H9ClN2OS/c1-5-7(11)3-4-8-9(5)13-10(15-8)12-6(2)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyWHTFGILUDNHWFK-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.22
Rot. Bonds1

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2150683) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID2150683
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C10H9ClN2OS/c1-5-7(11)3-4-8-9(5)13-10(15-8)12-6(2)14/h3-4H,1-2H3,(H,12,13,14)
InChIKeyWHTFGILUDNHWFK-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 2150683) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2c(C)c(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WHTFGILUDNHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-5-7(11)3-4-8-9(5)13-10(15-8)12-6(2)14/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 240.72 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2150683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).