N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide

C13H15N7OS2 — CID 46639092

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C13H15N7OS2/c1-13(2,3)20-12(15-18-19-20)22-7-10(21)14-8-5-4-6-9-11(8)17-23-16-9/h4-6H,7H2,1-3H3,(H,14,21)
InChIKeyKAHSYMZWJVZAFD-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.16
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide (PubChem CID 46639092) has the molecular formula C13H15N7OS2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
PubChem CID46639092
Molecular FormulaC13H15N7OS2
Molecular Weight349.45 g/mol
Exact Mass349.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C13H15N7OS2/c1-13(2,3)20-12(15-18-19-20)22-7-10(21)14-8-5-4-6-9-11(8)17-23-16-9/h4-6H,7H2,1-3H3,(H,14,21)
InChIKeyKAHSYMZWJVZAFD-UHFFFAOYSA-N
XLogP2.16
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.16
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-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534706
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 7845508
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
N-(2,1,3-benzothiadiazol-4-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 30684087
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 16587956
N-(2,1,3-benzothiadiazol-4-yl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31677869
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 30684350
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide (CID 46639092) is N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide is CC(C)(C)n1nnnc1SCC(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KAHSYMZWJVZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS2/c1-13(2,3)20-12(15-18-19-20)22-7-10(21)14-8-5-4-6-9-11(8)17-23-16-9/h4-6H,7H2,1-3H3,(H,14,21).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 349.45 g/mol, XLogP of 2.16, 4 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-tert-butyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 46639092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).