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

C15H12ClN3OS — CID 62503891

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
SMILESNc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
InChIInChI=1S/C15H12ClN3OS/c16-10-3-1-2-9(6-10)7-14(20)19-15-18-12-5-4-11(17)8-13(12)21-15/h1-6,8H,7,17H2,(H,18,19,20)
InChIKeyXMBQQXSUUDACKX-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.71
Rot. Bonds3

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

N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 62503891) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
PubChem CID62503891
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
SMILESNc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
InChIInChI=1S/C15H12ClN3OS/c16-10-3-1-2-9(6-10)7-14(20)19-15-18-12-5-4-11(17)8-13(12)21-15/h1-6,8H,7,17H2,(H,18,19,20)
InChIKeyXMBQQXSUUDACKX-UHFFFAOYSA-N
XLogP3.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.71
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

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
1-(3-aminophenyl)-3-(6-chloro-1,3-benzothiazol-2-yl)urea
CID 29051364
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide (CID 62503891) is N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide is Nc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is XMBQQXSUUDACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-10-3-1-2-9(6-10)7-14(20)19-15-18-12-5-4-11(17)8-13(12)21-15/h1-6,8H,7,17H2,(H,18,19,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 317.80 g/mol, XLogP of 3.71, 3 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)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62503891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).