N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide

C16H12N6OS — CID 9419811

IUPACN-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnnc1-c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H12N6OS/c23-14(18-16-17-12-8-4-5-9-13(12)24-16)10-22-15(19-20-21-22)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,23)
InChIKeyNZDHPDSYOUCJNG-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.59
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide (PubChem CID 9419811) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
PubChem CID9419811
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnnc1-c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H12N6OS/c23-14(18-16-17-12-8-4-5-9-13(12)24-16)10-22-15(19-20-21-22)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,23)
InChIKeyNZDHPDSYOUCJNG-UHFFFAOYSA-N
XLogP2.59
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 162421443
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9421444
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5302441
1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62061222
N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2197373
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
N-(1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952352

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide (CID 9419811) is N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide is O=C(Cn1nnnc1-c1ccccc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide?
The InChIKey is NZDHPDSYOUCJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c23-14(18-16-17-12-8-4-5-9-13(12)24-16)10-22-15(19-20-21-22)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide has a molecular weight of 336.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 9419811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).