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

C17H12N4O3S — CID 5098325

IUPACN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1
InChIInChI=1S/C17H12N4O3S/c1-23-12-4-2-3-11(7-12)16-20-21-17(24-16)19-15(22)10-5-6-13-14(8-10)25-9-18-13/h2-9H,1H3,(H,19,21,22)
InChIKeyCFWUTTZCSRYWEG-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.61
Rot. Bonds4

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

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 5098325) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID5098325
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1
InChIInChI=1S/C17H12N4O3S/c1-23-12-4-2-3-11(7-12)16-20-21-17(24-16)19-15(22)10-5-6-13-14(8-10)25-9-18-13/h2-9H,1H3,(H,19,21,22)
InChIKeyCFWUTTZCSRYWEG-UHFFFAOYSA-N
XLogP3.61
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 5098325) is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is COc1cccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is CFWUTTZCSRYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c1-23-12-4-2-3-11(7-12)16-20-21-17(24-16)19-15(22)10-5-6-13-14(8-10)25-9-18-13/h2-9H,1H3,(H,19,21,22).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 5098325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).