N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H15N7OS2 — CID 7534706

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2cccc3nsnc23)cc1C
InChIInChI=1S/C17H15N7OS2/c1-10-6-7-12(8-11(10)2)24-17(19-22-23-24)26-9-15(25)18-13-4-3-5-14-16(13)21-27-20-14/h3-8H,9H2,1-2H3,(H,18,25)
InChIKeyPSKOXSOETHVZJU-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.01
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7534706) has the molecular formula C17H15N7OS2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7534706
Molecular FormulaC17H15N7OS2
Molecular Weight397.49 g/mol
Exact Mass397.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2cccc3nsnc23)cc1C
InChIInChI=1S/C17H15N7OS2/c1-10-6-7-12(8-11(10)2)24-17(19-22-23-24)26-9-15(25)18-13-4-3-5-14-16(13)21-27-20-14/h3-8H,9H2,1-2H3,(H,18,25)
InChIKeyPSKOXSOETHVZJU-UHFFFAOYSA-N
XLogP3.01
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3442292
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
CID 46639092
N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8976822
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
N-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]benzamide
CID 7661538
N-(2,3-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8805931
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 26651008
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1175592
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
N-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
N-[(3-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661613

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7534706) is N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc3nsnc23)cc1C.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is PSKOXSOETHVZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS2/c1-10-6-7-12(8-11(10)2)24-17(19-22-23-24)26-9-15(25)18-13-4-3-5-14-16(13)21-27-20-14/h3-8H,9H2,1-2H3,(H,18,25).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 397.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7534706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).