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

C16H9ClN4O2S — CID 4260390

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1
InChIInChI=1S/C16H9ClN4O2S/c17-10-6-2-1-5-9(10)14-20-21-16(23-14)19-13(22)15-18-11-7-3-4-8-12(11)24-15/h1-8H,(H,19,21,22)
InChIKeyGBIIBNOFRIZKOG-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.25
Rot. Bonds3

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

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 4260390) has the molecular formula C16H9ClN4O2S and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID4260390
Molecular FormulaC16H9ClN4O2S
Molecular Weight356.79 g/mol
Exact Mass356.01
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1
InChIInChI=1S/C16H9ClN4O2S/c17-10-6-2-1-5-9(10)14-20-21-16(23-14)19-13(22)15-18-11-7-3-4-8-12(11)24-15/h1-8H,(H,19,21,22)
InChIKeyGBIIBNOFRIZKOG-UHFFFAOYSA-N
XLogP4.25
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-Benzothiazol-2-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 2563737
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-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 7244052
5-(2-chlorophenyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7109971
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 155807492
N-(5-(2-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-2-carboxamide
CID 7577896
N-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-2-carboxamide
CID 16917526
N-(6-chlorobenzo[d]thiazol-2-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 71745032
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 2104601
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 7244092
N-(5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-6-carboxamide
CID 43972857

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 4260390) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is GBIIBNOFRIZKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2S/c17-10-6-2-1-5-9(10)14-20-21-16(23-14)19-13(22)15-18-11-7-3-4-8-12(11)24-15/h1-8H,(H,19,21,22).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 4260390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).