N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide

C14H9Cl2N3OS — CID 50881052

IUPACN-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide
SMILESNc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1
InChIInChI=1S/C14H9Cl2N3OS/c15-8-6-9(10(16)12-11(8)19-14(17)21-12)18-13(20)7-4-2-1-3-5-7/h1-6H,(H2,17,19)(H,18,20)
InChIKeyGWNJVAUCKCGXKQ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.44
Rot. Bonds2

About N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide

N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide (PubChem CID 50881052) has the molecular formula C14H9Cl2N3OS and a molecular weight of 338.22 g/mol. Its IUPAC name is N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide
PubChem CID50881052
Molecular FormulaC14H9Cl2N3OS
Molecular Weight338.22 g/mol
Exact Mass336.98
IUPAC NameN-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide
SMILESNc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1
InChIInChI=1S/C14H9Cl2N3OS/c15-8-6-9(10(16)12-11(8)19-14(17)21-12)18-13(20)7-4-2-1-3-5-7/h1-6H,(H2,17,19)(H,18,20)
InChIKeyGWNJVAUCKCGXKQ-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide (CID 50881052) is N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide is Nc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1.
What is the InChIKey of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is GWNJVAUCKCGXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS/c15-8-6-9(10(16)12-11(8)19-14(17)21-12)18-13(20)7-4-2-1-3-5-7/h1-6H,(H2,17,19)(H,18,20).
What are the key properties of N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide?
N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-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 N-(2-amino-4,7-dichloro-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 50881052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).