N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C15H12N6OS — CID 27278327

IUPACN-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3sccc3C#N)n2)cc1
InChIInChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)14-18-20-21(19-14)9-13(22)17-15-12(8-16)6-7-23-15/h2-7H,9H2,1H3,(H,17,22)
InChIKeyPWZLXFIOEYOMOH-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.22
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 27278327) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID27278327
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3sccc3C#N)n2)cc1
InChIInChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)14-18-20-21(19-14)9-13(22)17-15-12(8-16)6-7-23-15/h2-7H,9H2,1H3,(H,17,22)
InChIKeyPWZLXFIOEYOMOH-UHFFFAOYSA-N
XLogP2.22
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 27278327) is N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3sccc3C#N)n2)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PWZLXFIOEYOMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-10-2-4-11(5-3-10)14-18-20-21(19-14)9-13(22)17-15-12(8-16)6-7-23-15/h2-7H,9H2,1H3,(H,17,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 324.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 27278327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).