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

C15H12N6O2S — CID 25283156

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)nn1C
InChIInChI=1S/C15H12N6O2S/c1-8-7-10(20-21(8)2)13-18-19-15(23-13)17-12(22)14-16-9-5-3-4-6-11(9)24-14/h3-7H,1-2H3,(H,17,19,22)
InChIKeyIGVCNFWDQMKYBQ-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-2-carboxamide

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 25283156) 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-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID25283156
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-2-carboxamide
SMILESCc1cc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)nn1C
InChIInChI=1S/C15H12N6O2S/c1-8-7-10(20-21(8)2)13-18-19-15(23-13)17-12(22)14-16-9-5-3-4-6-11(9)24-14/h3-7H,1-2H3,(H,17,19,22)
InChIKeyIGVCNFWDQMKYBQ-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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Related Compounds

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CID 4800454
CID 4800454
CID 16952830
CID 16952830
CID 25283218
CID 25283218
CID 25283304
CID 25283304
CID 25818769
CID 25818769
CID 25818788
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CID 25818804
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CID 25818857
CID 25818857

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-2-carboxamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 25283156) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is Cc1cc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is IGVCNFWDQMKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-8-7-10(20-21(8)2)13-18-19-15(23-13)17-12(22)14-16-9-5-3-4-6-11(9)24-14/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-2-carboxamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-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-2-carboxamide is sourced from PubChem (CID 25283156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).