N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C17H12N4O2S — CID 16917410

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C17H12N4O2S/c22-16(12-6-7-13-14(9-12)24-10-18-13)19-17-21-20-15(23-17)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,21,22)
InChIKeyZXHYKXAJGKPYPB-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.52
Rot. Bonds4

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

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 16917410) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID16917410
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C17H12N4O2S/c22-16(12-6-7-13-14(9-12)24-10-18-13)19-17-21-20-15(23-17)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,21,22)
InChIKeyZXHYKXAJGKPYPB-UHFFFAOYSA-N
XLogP3.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43973672
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44921935
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43972313
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16917381
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 41228667
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 16917365
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 53323751
4-chloro-N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 11393935

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 16917410) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(Cc2ccccc2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZXHYKXAJGKPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-16(12-6-7-13-14(9-12)24-10-18-13)19-17-21-20-15(23-17)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16917410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).