N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

C16H8Cl2N4O2S — CID 8608479

IUPACN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ncsc2c1
InChIInChI=1S/C16H8Cl2N4O2S/c17-9-2-3-11(18)10(6-9)15-21-22-16(24-15)20-14(23)8-1-4-12-13(5-8)25-7-19-12/h1-7H,(H,20,22,23)
InChIKeyXMZJDUFRIKZEKR-UHFFFAOYSA-N
MW391.24 g/mol
LogP4.91
Rot. Bonds3

About N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 8608479) has the molecular formula C16H8Cl2N4O2S and a molecular weight of 391.24 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID8608479
Molecular FormulaC16H8Cl2N4O2S
Molecular Weight391.24 g/mol
Exact Mass389.97
IUPAC NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ncsc2c1
InChIInChI=1S/C16H8Cl2N4O2S/c17-9-2-3-11(18)10(6-9)15-21-22-16(24-15)20-14(23)8-1-4-12-13(5-8)25-7-19-12/h1-7H,(H,20,22,23)
InChIKeyXMZJDUFRIKZEKR-UHFFFAOYSA-N
XLogP4.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 8608479) is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is XMZJDUFRIKZEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N4O2S/c17-9-2-3-11(18)10(6-9)15-21-22-16(24-15)20-14(23)8-1-4-12-13(5-8)25-7-19-12/h1-7H,(H,20,22,23).
What are the key properties of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 391.24 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 8608479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).