N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide

C15H10Cl2N2OS — CID 91683689

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1cc(-c2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C15H10Cl2N2OS/c16-8-14(20)18-12-7-9(5-6-10(12)17)15-19-11-3-1-2-4-13(11)21-15/h1-7H,8H2,(H,18,20)
InChIKeyGSASRLWHKFBHIO-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.79
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide (PubChem CID 91683689) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide
PubChem CID91683689
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1cc(-c2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C15H10Cl2N2OS/c16-8-14(20)18-12-7-9(5-6-10(12)17)15-19-11-3-1-2-4-13(11)21-15/h1-7H,8H2,(H,18,20)
InChIKeyGSASRLWHKFBHIO-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide
CID 739213
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
CID 2283555
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 3888323
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782740
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4-dimethoxybenzamide
CID 1048170
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-(4-tert-butylphenoxy)-2-methylpropanamide
CID 17274238
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chlorobenzamide
CID 3120632
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2911609

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide (CID 91683689) is N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide is O=C(CCl)Nc1cc(-c2nc3ccccc3s2)ccc1Cl.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide?
The InChIKey is GSASRLWHKFBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-8-14(20)18-12-7-9(5-6-10(12)17)15-19-11-3-1-2-4-13(11)21-15/h1-7H,8H2,(H,18,20).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide?
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide has a molecular weight of 337.23 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide is sourced from PubChem (CID 91683689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).