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

C16H9ClN4O2S — CID 4100550

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C16H9ClN4O2S/c17-11-4-1-9(2-5-11)15-20-21-16(23-15)19-14(22)10-3-6-12-13(7-10)24-8-18-12/h1-8H,(H,19,21,22)
InChIKeyJUQCIQFPLAUTEI-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.25
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 4100550) has the molecular formula C16H9ClN4O2S and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID4100550
Molecular FormulaC16H9ClN4O2S
Molecular Weight356.79 g/mol
Exact Mass356.01
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C16H9ClN4O2S/c17-11-4-1-9(2-5-11)15-20-21-16(23-15)19-14(22)10-3-6-12-13(7-10)24-8-18-12/h1-8H,(H,19,21,22)
InChIKeyJUQCIQFPLAUTEI-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 4100550) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is JUQCIQFPLAUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2S/c17-11-4-1-9(2-5-11)15-20-21-16(23-15)19-14(22)10-3-6-12-13(7-10)24-8-18-12/h1-8H,(H,19,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4100550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).