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

C15H12N6O2S — CID 25283218

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)nn1C
InChIInChI=1S/C15H12N6O2S/c1-8-5-11(20-21(8)2)14-18-19-15(23-14)17-13(22)9-3-4-10-12(6-9)24-7-16-10/h3-7H,1-2H3,(H,17,19,22)
InChIKeyUBHRBLOCSQXQOY-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.64
Rot. Bonds3

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

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 25283218) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID25283218
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)nn1C
InChIInChI=1S/C15H12N6O2S/c1-8-5-11(20-21(8)2)14-18-19-15(23-14)17-13(22)9-3-4-10-12(6-9)24-7-16-10/h3-7H,1-2H3,(H,17,19,22)
InChIKeyUBHRBLOCSQXQOY-UHFFFAOYSA-N
XLogP2.64
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 25283218) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is Cc1cc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is UBHRBLOCSQXQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-8-5-11(20-21(8)2)14-18-19-15(23-14)17-13(22)9-3-4-10-12(6-9)24-7-16-10/h3-7H,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 25283218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).