N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine

C15H7Cl3N4OS — CID 71745032

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(Nc3nc4ccc(Cl)cc4s3)o2)c(Cl)c1
InChIInChI=1S/C15H7Cl3N4OS/c16-7-1-3-9(10(18)5-7)13-21-22-14(23-13)20-15-19-11-4-2-8(17)6-12(11)24-15/h1-6H,(H,19,20,22)
InChIKeyZKNLNTRZXMHKRH-UHFFFAOYSA-N
MW397.67 g/mol
LogP6.05
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine

N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 71745032) has the molecular formula C15H7Cl3N4OS and a molecular weight of 397.67 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID71745032
Molecular FormulaC15H7Cl3N4OS
Molecular Weight397.67 g/mol
Exact Mass395.94
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(Nc3nc4ccc(Cl)cc4s3)o2)c(Cl)c1
InChIInChI=1S/C15H7Cl3N4OS/c16-7-1-3-9(10(18)5-7)13-21-22-14(23-13)20-15-19-11-4-2-8(17)6-12(11)24-15/h1-6H,(H,19,20,22)
InChIKeyZKNLNTRZXMHKRH-UHFFFAOYSA-N
XLogP6.05
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.67
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 3243386
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7109972
N-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-2-carboxamide
CID 4252281
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 4260390
5-(2-chlorophenyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7109971
5-(2-chlorophenyl)-N-(6-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110057
N-(6-fluorobenzo[d]thiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7110058
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 4100550
N-(5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-2-carboxamide
CID 7244021
N-(6-(methylthio)benzo[d]thiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 8545230
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 8608479
5-(2-chlorophenyl)-N-(6-(methylthio)benzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 16819667

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine (CID 71745032) is N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine is Clc1ccc(-c2nnc(Nc3nc4ccc(Cl)cc4s3)o2)c(Cl)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZKNLNTRZXMHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3N4OS/c16-7-1-3-9(10(18)5-7)13-21-22-14(23-13)20-15-19-11-4-2-8(17)6-12(11)24-15/h1-6H,(H,19,20,22).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine?
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 397.67 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 71745032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).