N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide

C17H14N6O2S — CID 8883299

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(-n4cnnn4)c3)sc2c1
InChIInChI=1S/C17H14N6O2S/c1-2-25-13-6-7-14-15(9-13)26-17(19-14)20-16(24)11-4-3-5-12(8-11)23-10-18-21-22-23/h3-10H,2H2,1H3,(H,19,20,24)
InChIKeyCOCUKVNJNKSTDL-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.92
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 8883299) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID8883299
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(-n4cnnn4)c3)sc2c1
InChIInChI=1S/C17H14N6O2S/c1-2-25-13-6-7-14-15(9-13)26-17(19-14)20-16(24)11-4-3-5-12(8-11)23-10-18-21-22-23/h3-10H,2H2,1H3,(H,19,20,24)
InChIKeyCOCUKVNJNKSTDL-UHFFFAOYSA-N
XLogP2.92
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600412
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3134466
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 24592574
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55857715
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide (CID 8883299) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide is CCOc1ccc2nc(NC(=O)c3cccc(-n4cnnn4)c3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is COCUKVNJNKSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-2-25-13-6-7-14-15(9-13)26-17(19-14)20-16(24)11-4-3-5-12(8-11)23-10-18-21-22-23/h3-10H,2H2,1H3,(H,19,20,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 8883299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).