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

C16H11ClN4OS2 — CID 16819667

IUPAC5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCSc1ccc2nc(Nc3nnc(-c4ccccc4Cl)o3)sc2c1
InChIInChI=1S/C16H11ClN4OS2/c1-23-9-6-7-12-13(8-9)24-16(18-12)19-15-21-20-14(22-15)10-4-2-3-5-11(10)17/h2-8H,1H3,(H,18,19,21)
InChIKeyMZKAPOTVBAFIOS-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.47
Rot. Bonds4

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

5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 16819667) has the molecular formula C16H11ClN4OS2 and a molecular weight of 374.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID16819667
Molecular FormulaC16H11ClN4OS2
Molecular Weight374.88 g/mol
Exact Mass374.01
IUPAC Name5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCSc1ccc2nc(Nc3nnc(-c4ccccc4Cl)o3)sc2c1
InChIInChI=1S/C16H11ClN4OS2/c1-23-9-6-7-12-13(8-9)24-16(18-12)19-15-21-20-14(22-15)10-4-2-3-5-11(10)17/h2-8H,1H3,(H,18,19,21)
InChIKeyMZKAPOTVBAFIOS-UHFFFAOYSA-N
XLogP5.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 16819667) is 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is CSc1ccc2nc(Nc3nnc(-c4ccccc4Cl)o3)sc2c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MZKAPOTVBAFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS2/c1-23-9-6-7-12-13(8-9)24-16(18-12)19-15-21-20-14(22-15)10-4-2-3-5-11(10)17/h2-8H,1H3,(H,18,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 374.88 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 16819667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).