N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide

C14H9Cl2N3OS — CID 29302670

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
SMILESNc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2c1
InChIInChI=1S/C14H9Cl2N3OS/c15-8-3-7(4-9(16)5-8)13(20)19-14-18-11-2-1-10(17)6-12(11)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeyICZLNSBQJDSDMG-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.44
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide

N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide (PubChem CID 29302670) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
PubChem CID29302670
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
SMILESNc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2c1
InChIInChI=1S/C14H9Cl2N3OS/c15-8-3-7(4-9(16)5-8)13(20)19-14-18-11-2-1-10(17)6-12(11)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeyICZLNSBQJDSDMG-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide (CID 29302670) is N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide is Nc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide?
The InChIKey is ICZLNSBQJDSDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-8-3-7(4-9(16)5-8)13(20)19-14-18-11-2-1-10(17)6-12(11)21-14/h1-6H,17H2,(H,18,19,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide?
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide has a molecular weight of 338.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 29302670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).