N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide

C16H10N4O2S — CID 4121843

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C16H10N4O2S/c21-13(15-17-11-8-4-5-9-12(11)23-15)18-16-20-19-14(22-16)10-6-2-1-3-7-10/h1-9H,(H,18,20,21)
InChIKeyFJTVSMDFNPODDK-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.60
Rot. Bonds3

About N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 4121843) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID4121843
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C16H10N4O2S/c21-13(15-17-11-8-4-5-9-12(11)23-15)18-16-20-19-14(22-16)10-6-2-1-3-7-10/h1-9H,(H,18,20,21)
InChIKeyFJTVSMDFNPODDK-UHFFFAOYSA-N
XLogP3.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide (CID 4121843) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(-c2ccccc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is FJTVSMDFNPODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-13(15-17-11-8-4-5-9-12(11)23-15)18-16-20-19-14(22-16)10-6-2-1-3-7-10/h1-9H,(H,18,20,21).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 4121843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).