3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide

C14H9Cl2N3OS — CID 43699875

IUPAC3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
SMILESNc1cc(C(=O)Nc2c(Cl)ccc3scnc23)ccc1Cl
InChIInChI=1S/C14H9Cl2N3OS/c15-8-2-1-7(5-10(8)17)14(20)19-12-9(16)3-4-11-13(12)18-6-21-11/h1-6H,17H2,(H,19,20)
InChIKeyPGEYUMRHJAJSQP-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.44
Rot. Bonds2

About 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide

3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide (PubChem CID 43699875) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
PubChem CID43699875
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC Name3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
SMILESNc1cc(C(=O)Nc2c(Cl)ccc3scnc23)ccc1Cl
InChIInChI=1S/C14H9Cl2N3OS/c15-8-2-1-7(5-10(8)17)14(20)19-12-9(16)3-4-11-13(12)18-6-21-11/h1-6H,17H2,(H,19,20)
InChIKeyPGEYUMRHJAJSQP-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-bromo-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107999354
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107951874
4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 107793809
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55114948
2-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 66483517
N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
CID 102979090
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-4-methylsulfonylbutanamide
CID 43699874
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide (CID 43699875) is 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide is Nc1cc(C(=O)Nc2c(Cl)ccc3scnc23)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
The InChIKey is PGEYUMRHJAJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-8-2-1-7(5-10(8)17)14(20)19-12-9(16)3-4-11-13(12)18-6-21-11/h1-6H,17H2,(H,19,20).
What are the key properties of 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide 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 3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide is sourced from PubChem (CID 43699875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).