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

C9H6Cl2N2OS — CID 763236

IUPAC2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C9H6Cl2N2OS/c10-4-8(14)13-9-12-6-2-1-5(11)3-7(6)15-9/h1-3H,4H2,(H,12,13,14)
InChIKeyXUVJLNSGXUWBNT-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.13
Rot. Bonds2

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

2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 763236) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
PubChem CID763236
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C9H6Cl2N2OS/c10-4-8(14)13-9-12-6-2-1-5(11)3-7(6)15-9/h1-3H,4H2,(H,12,13,14)
InChIKeyXUVJLNSGXUWBNT-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-2-benzothiazolamine
CID 7226
N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
2-Benzothiazolamine, dichloro-
CID 112722
Acetamide, N-2-benzothiazolyl-2,2,2-trifluoro-
CID 97229
6-Chloro-2-hydrazinyl-1,3-benzothiazole
CID 737197
N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 919418
Acetamide, N-2-benzothiazolyl-
CID 350459
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropanecarboxamide
CID 3551308
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 2414873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (CID 763236) is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is O=C(CCl)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XUVJLNSGXUWBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-4-8(14)13-9-12-6-2-1-5(11)3-7(6)15-9/h1-3H,4H2,(H,12,13,14).
What are the key properties of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 261.13 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 763236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).