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

C16H8Cl2N4O2S — CID 43976965

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2s1
InChIInChI=1S/C16H8Cl2N4O2S/c17-8-5-6-9(10(18)7-8)14-21-22-16(24-14)20-13(23)15-19-11-3-1-2-4-12(11)25-15/h1-7H,(H,20,22,23)
InChIKeyHAZRMFZLMLVYCE-UHFFFAOYSA-N
MW391.24 g/mol
LogP4.91
Rot. Bonds3

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

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 43976965) has the molecular formula C16H8Cl2N4O2S and a molecular weight of 391.24 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID43976965
Molecular FormulaC16H8Cl2N4O2S
Molecular Weight391.24 g/mol
Exact Mass389.97
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2s1
InChIInChI=1S/C16H8Cl2N4O2S/c17-8-5-6-9(10(18)7-8)14-21-22-16(24-14)20-13(23)15-19-11-3-1-2-4-12(11)25-15/h1-7H,(H,20,22,23)
InChIKeyHAZRMFZLMLVYCE-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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Related Compounds

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16854327
5-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976895
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43976962
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43976983
N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 52904179
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 44921587
3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43977052
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 43976965) is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is HAZRMFZLMLVYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N4O2S/c17-8-5-6-9(10(18)7-8)14-21-22-16(24-14)20-13(23)15-19-11-3-1-2-4-12(11)25-15/h1-7H,(H,20,22,23).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-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-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 43976965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).