N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide

C17H14N6OS — CID 38846870

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cn3nnc(-c4ccccc4)n3)sc2c1
InChIInChI=1S/C17H14N6OS/c1-11-7-8-13-14(9-11)25-17(18-13)19-15(24)10-23-21-16(20-22-23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,24)
InChIKeyANQLYRHFVJDWIX-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.90
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 38846870) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID38846870
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cn3nnc(-c4ccccc4)n3)sc2c1
InChIInChI=1S/C17H14N6OS/c1-11-7-8-13-14(9-11)25-17(18-13)19-15(24)10-23-21-16(20-22-23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,24)
InChIKeyANQLYRHFVJDWIX-UHFFFAOYSA-N
XLogP2.90
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4775242
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 38907660
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 20969488
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846610
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 30485980
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560800
2-(4-chloro-3-methylpyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 19521013
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 38846870) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)Cn3nnc(-c4ccccc4)n3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is ANQLYRHFVJDWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-11-7-8-13-14(9-11)25-17(18-13)19-15(24)10-23-21-16(20-22-23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,24).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 350.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 38846870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).