N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine

C16H12N4OS2 — CID 8545230

IUPACN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCSc1ccc2nc(Nc3nnc(-c4ccccc4)o3)sc2c1
InChIInChI=1S/C16H12N4OS2/c1-22-11-7-8-12-13(9-11)23-16(17-12)18-15-20-19-14(21-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18,20)
InChIKeyPAOIMZKZVDMXIZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.81
Rot. Bonds4

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

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 8545230) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID8545230
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC NameN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCSc1ccc2nc(Nc3nnc(-c4ccccc4)o3)sc2c1
InChIInChI=1S/C16H12N4OS2/c1-22-11-7-8-12-13(9-11)23-16(17-12)18-15-20-19-14(21-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18,20)
InChIKeyPAOIMZKZVDMXIZ-UHFFFAOYSA-N
XLogP4.81
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3242011
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-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 4121843
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 4252281
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 7158830
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 7244052
5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 8545131
N-(4-methylphenyl)-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2112927
5-(2-chlorophenyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7109971
N-(6-fluorobenzo[d]thiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 7110059
N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7295080

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (CID 8545230) is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine is CSc1ccc2nc(Nc3nnc(-c4ccccc4)o3)sc2c1.
What is the InChIKey of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PAOIMZKZVDMXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-22-11-7-8-12-13(9-11)23-16(17-12)18-15-20-19-14(21-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18,20).
What are the key properties of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 8545230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).